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SDF/Mol File of 3-(Thiophen-2-yl)propan-1-ol (C7H10OS)

Identification of 3-(Thiophen-2-yl)propan-1-ol Chemical Compound

2D chemical structure image of 3-(Thiophen-2-yl)propan-1-ol
Chemical Formula C7H10OS
Molecular Weight 142.2187 g/mol
IUPAC Name 3-(thiophen-2-yl)propan-1-ol
SMILES String OCCCc1cccs1
InChI InChI=1S/C7H10OS/c8-5-1-3-7-4-2-6-9-7/h2,4,6,8H,1,3,5H2
InChIKey BQFZLZCBCSKUPL-UHFFFAOYSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of 3-(Thiophen-2-yl)propan-1-ol is available for download. Click the link below to start downloading.

Download structure data file (SDF/MOL File)

The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of 3-(Thiophen-2-yl)propan-1-ol molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.

The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.

3D chemical structure image of 3-(Thiophen-2-yl)propan-1-ol
Ball-and-stick model of 3-(Thiophen-2-yl)propan-1-ol

chemical table area

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Input a chemical compound consisting of C, H, N, O, S, F, Cl, Br, I, Si, P, and/or As atom(s)

Input example for Ethanol:

  • Name: ethanol
  • CAS #: 64-17-5
  • Formula: C2H5OH
  • Smiles: CCO
  • InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

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Additional Information for Identifying 3-(Thiophen-2-yl)propan-1-ol Molecule

  • Chemical structure of 3-(Thiophen-2-yl)propan-1-ol

    By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 3-(Thiophen-2-yl)propan-1-ol is available in chemical structure page of 3-(Thiophen-2-yl)propan-1-ol, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

  • Molecular weight of 3-(Thiophen-2-yl)propan-1-ol

    The molecular weight of 3-(Thiophen-2-yl)propan-1-ol is available in molecular weight page of 3-(Thiophen-2-yl)propan-1-ol, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

  • Chemical formula of 3-(Thiophen-2-yl)propan-1-ol

    The chemical formula of 3-(Thiophen-2-yl)propan-1-ol is given in chemical formula page of 3-(Thiophen-2-yl)propan-1-ol, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

  • InChI (IUPAC International Chemical Identifier) information of 3-(Thiophen-2-yl)propan-1-ol

    An alternative way of expressing structural information in text format is InChI. The full standard InChI of 3-(Thiophen-2-yl)propan-1-ol is:

    InChI=1S/C7H10OS/c8-5-1-3-7-4-2-6-9-7/h2,4,6,8H,1,3,5H2

    It can provide a standard way to encode the molecular information of 3-(Thiophen-2-yl)propan-1-ol to facilitate the search for the compound information in databases and on the web.

    The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of 3-(Thiophen-2-yl)propan-1-ol is:

    InChIKey=BQFZLZCBCSKUPL-UHFFFAOYSA-N

    The InChIKey may allow easier web searches for 3-(Thiophen-2-yl)propan-1-ol, but it needs to be linked to the full InChI to get back to the original structure of the 3-(Thiophen-2-yl)propan-1-ol since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of 3-(Thiophen-2-yl)propan-1-ol

    The 3-(Thiophen-2-yl)propan-1-ol compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 3-(Thiophen-2-yl)propan-1-ol including the registry numbers are listed below, if available:

    • BBV-34543169
    • J-511006
    • I09-2041
    • K-5748
    • X0200
    • TRA-0183616
    • MFCD09927267
    • ANW-54530
    • 3-(Thiophen-2-yl);propan-1-ol
    • Thiophene-2-propan-1-ol
    • 3-(2-Thienyl)propanol
    • 2-Thiophenepropanol
    • 3-(2-THIENYL)-1-PROPANOL
    • 19498-72-7

3-(Thiophen-2-yl)propan-1-ol Identification Summary Frequently Asked Questions (FAQs)

What’s the 3-(Thiophen-2-yl)propan-1-ol formula?
C7H10OS
How many atoms and what elements are included in the 3-(Thiophen-2-yl)propan-1-ol molecule?
19 atom(s) - 10 Hydrogen atom(s), 7 Carbon atom(s), 1 Oxygen atom(s), and 1 Sulfur atom(s)
How many chemical bonds and what kind of bonds are in the 3-(Thiophen-2-yl)propan-1-ol structure?
19 bond(s) - 9 non-H bond(s), 5 multiple bond(s), 3 rotatable bond(s), 5 aromatic bond(s), 1 five-membered ring(s), 1 hydroxyl group(s), 1 primary alcohol(s), and 1 Thiophene(s)
What’s the 3-(Thiophen-2-yl)propan-1-ol’s molar mass?
142.2187 g/mol
What’s the SMILES structure of 3-(Thiophen-2-yl)propan-1-ol?
OCCCc1cccs1
What’s the InChI code of 3-(Thiophen-2-yl)propan-1-ol?
InChI=1S/C7H10OS/c8-5-1-3-7-4-2-6-9-7/h2,4,6,8H,1,3,5H2
What’s the InChIKey format of 3-(Thiophen-2-yl)propan-1-ol?
BQFZLZCBCSKUPL-UHFFFAOYSA-N

46 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).

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