Structure & Deep Data of Biotin (C10H16N2O3S)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The biotin molecule contains a total of 33 bond(s). There are 17 non-H bond(s), 2 multiple bond(s), 5 rotatable bond(s), 2 double bond(s), 2 five-membered ring(s), 1 eight-membered ring(s), 1 carboxylic acid(s) (aliphatic), 1 urea (-thio) derivative(s), 1 hydroxyl group(s), 1 sulfide(s), and 1 tetrahydro-thiophene(s). Images of the chemical structure of biotin are given below:

The 2D chemical structure image of biotin is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of biotin are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of biotin is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of biotin. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Biotin Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of biotin

  The SMILES string of biotin is OC(=O)CCCCC1SCC2NC(=O)NC12, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the biotin.

• Structure Data File (SDF/MOL File) of biotin

  The structure data file (SDF/MOL File) of biotin is available for download in the SDF page of biotin, which provides the information about the atoms, bonds, connectivity and coordinates of biotin. The biotin structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of biotin

  The molecular formula of biotin is available in chemical formula page of biotin, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of biotin

  The molecular weight of biotin is available in molecular weight page of biotin, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of biotin

  The biotin compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of biotin including the various registry numbers, if available:

  • Biotin, powder, BioReagent, suitable for cell culture, suitable for insect cell culture, suitable for plant cell culture, >=99%
  • BIOTIN, PharmaGrade, USP, meets FCC testing specifications, Manufactured under appropriate GMP controls for pharma or biopharmaceutical production.
  • 58073-87-3
  • 3672-05-7
  • 22377-59-9
  • 15720-24-8
  • hexahydro-2-oxo-[3as-(3alpha,4beta,6alpha)]-1H-Thieno[3,4-d]imidazole-4-pentanoic acid
  • hexahydro-2-oxo-[3as-(3alpha,4beta,6alpha)]-1H-Thieno[3,4-d]imidazole-4-pentanoate
  • hexahydro-2-oxo-[3aS-(3aa,4b,6aa)]-1H-Thieno[3,4-d]imidazole-4-pentanoic acid
  • hexahydro-2-oxo-[3aS-(3aa,4b,6aa)]-1H-Thieno[3,4-d]imidazole-4-pentanoate

  • 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
  • 5-[(3aR,6S,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]pentanoic acid
  • 1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, (3aS,4S,6aR)- (9CI)
  • Biotin, pharmaceutical secondary standard; traceable to USP and PhEur
  • 5-((4S)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid
  • (3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-valerate
  • Daunorubicin hydrochloride, Antibiotic for Culture Media Use Only
  • 5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoate
  • (+)-cis-Hexahydro-2-oxo-1H-thieno[3,4]imidazole-4-valerate
  • cis-(+)-Tetrahydro-2-oxothieno[3,4]imidazoline-4-valerate

  • Biotin, United States Pharmacopeia (USP) Reference Standard
  • 2,4-DIMETHYL-5-(PHOSPHONATOOXYMETHYL)PYRIDIN-3-OL
  • Z210803762
  • Hexahydro-2-oxo-1H-thieno(3,4-d)imidazole-4-pentanoate
  • Biotin, European Pharmacopoeia (EP) Reference Standard
  • 6AE43AA3-BC3D-4C49-9DB9-5913A2401EB6
  • BRD-K89210380-001-03-8
  • Q-200929
  • Biotin, certified reference material, TraceCERT(R)
  • C-14824

  • Biotin, plant cell culture tested, >=99% (TLC)
  • AB00374191-08
  • S-1412
  • M02926
  • D00029
  • B0463
  • Biotin, Vetec(TM) reagent grade, >=99%
  • Biotin, >=99% (TLC), lyophilized powder
  • Biona-vit Controls and Prevents Hair Loss
  • 56846-45-8

  • Biotin, SAJ special grade, >=98.0%
  • Biotin, meets USP testing specifications
  • CCG-220418
  • Bonogen Activator Hair Loss Treatment
  • Biotin, tested according to Ph.Eur.
  • HY-B0511
  • HMS2271O06
  • HMS2096C18
  • HMS1569C18
  • ZX-AFC000477

  • Biotin, >=99.0% (T)
  • Acti-biotin 300 Caplet 300mcg
  • 2f01
  • 1n43
  • HMDB00030
  • Biotin 300 Mcg - Tablet
  • GTPL4787
  • D-Biotin, analytical standard
  • D-biotin Tab 5mcg A Croquer
  • Biotin (JP17/USP/INN)

  • Biotin Ctr Srt 1000mcg
  • bmse000227
  • BDBM12
  • Biotin 300 Mcg Tablet
  • 4bj8
  • 3t2w
  • 2gh7
  • 1n9m
  • 1df8
  • Biotin (Vitamin B7)

  • delta-biotin factor s
  • Biotin Tab 300mcg
  • Biotin Tab 250mcg
  • Biotin Cap 500mcg
  • Biotin (8CI)
  • Spai-sons Prolac-vit
  • delta-(+)-Biotin
  • Biotin 300mcg
  • Spai-sons Procapell
  • Biotin111In

  • Biotin 500mcg
  • 1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, [3as-(3aalpha,4beta,6aalpha)]-
  • Bios H
  • Rovimix H2
  • CAS-58-85-5
  • Bioepiderm (TN)
  • 4jnj
  • 4ggz
  • 4bcs
  • 2avi

  • 1swp
  • 1swg
  • 1stp
  • 1ndj
  • 1avd
  • Tk-nax
  • Nail-ex
  • Vitamin-h
  • dl-Biotin
  • Hairq-plus

  • Biotin Forte
  • delta-Biotin
  • d-biotine
  • 5-(2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid
  • hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanoic acid
  • Biopeiderm
  • Biotin [USAN:INN:JAN]
  • Biotin [USP:INN:JAN]
  • BTN
  • 1H-Thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, (3aS-(3aalpha,4b,6aalpha))-

  • 1H-Thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, (3aS,4S,6aR)-
  • (3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-valeric acid
  • Hexahydro-2-oxo-1H-thieno(3,4-d)imidazole-4-pentanoic acid
  • (3aS-(3aalpha,4b,6aalpha))-Hexahydro-2-oxo-1H-thieno(3,4-d)imidaz- ole-4-pentanoic acid
  • 1H-thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, (3aS,4S,6aR)-
  • Hexahydro-2-oxo-1H-thieno(3,4-d)imidazole-4-pentanoic acid, (3aS-(3aalpha,4beta,6aalpha))-
  • MFCD00005541
  • 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
  • 5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid
  • (3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno(3,4-d)imidazole-4-valeric acid

  • 6SO6U10H04
  • 2'-Keto-3,4-imidazolido-2-tetrahydrothiophene-N-valeric acid
  • 1H-Thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, (3aS-(3aalpha,4beta,6aalpha))-
  • (+)-cis-Hexahydro-2-oxo-1H-thieno[3,4]imidazole-4-valeric acid
  • cis-(+)-Tetrahydro-2-oxothieno[3,4]imidazoline-4-valeric acid
  • D-(+)-Biotin
  • cis-Tetrahydro-2-oxothieno(3,4-d)imidazoline-4-valeric acid
  • cis-Hexahydro-2-oxo-1H-thieno(3,4)imidazole-4-valeric acid
  • D(+)Biotin
  • D-Biotin Factor S

  • Rovimix H 2
  • 1swr
  • 1swn
  • 1swk
  • Biotina [INN-Spanish]
  • Biotinum [INN-Latin]
  • Biotine [INN-French]
  • (+)-Biotin
  • 3H-Biotin
  • Lutavit H2

  • Vitamin Bw
  • beta-Biotin
  • Biotine
  • Biotina
  • Bioepiderm
  • Injacom H
  • Factor S (vitamin)
  • Meribin
  • Medebiotin
  • Biotinum

  • Biodermatin
  • D(+)-Biotin
  • Factor S
  • Bios II
  • 58-85-5
  • Vitamin B7
  • coenzyme R
  • vitamin H
  • d-biotin
  • biotin

  • Appearex

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Biotin Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of biotin?
C10H16N2O3S
How many atoms and what are the elements included the biotin molecule?
32 atom(s) - 16 Hydrogen atom(s), 10 Carbon atom(s), 2 Nitrogen atom(s), 3 Oxygen atom(s), and 1 Sulfur atom(s)
How many chemical bonds and what kind of bonds are included the biotin structure?
33 bond(s) - 17 non-H bond(s), 2 multiple bond(s), 5 rotatable bond(s), 2 double bond(s), 2 five-membered ring(s), 1 eight-membered ring(s), 1 carboxylic acid(s) (aliphatic), 1 urea (-thio) derivative(s), 1 hydroxyl group(s), 1 sulfide(s), and 1 tetrahydro-thiophene(s)
What’s the biotin’s molecular weight?
244.31064 g/mol
What’s the SMILES code of biotin?
OC(=O)CCCCC1SCC2NC(=O)NC12
What’s the InChI string of biotin?
InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1
What’s the InChIKey code of biotin?
YBJHBAHKTGYVGT-ZKWXMUAHSA-N

3094 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).