Home Molecular Weight 2-Methoxyphenyl isothiocyanate

Molecular Weight of 2-Methoxyphenyl isothiocyanate (C8H7NOS)

Identification of 2-Methoxyphenyl isothiocyanate Chemical Compound

2D chemical structure image of 2-Methoxyphenyl isothiocyanate
Chemical Formula C8H7NOS
Molecular Weight 165.21228 g/mol
IUPAC Name 1-isothiocyanato-2-methoxybenzene
SMILES String COc1ccccc1N=C=S
InChI InChI=1S/C8H7NOS/c1-10-8-5-3-2-4-7(8)9-6-11/h2-5H,1H3
InChIKey QKAOOWJWWKWWOZ-UHFFFAOYSA-N

Molecular Weight Description

The 2-Methoxyphenyl isothiocyanate molecule consists of 7 Hydrogen atom(s), 8 Carbon atom(s), 1 Nitrogen atom(s), 1 Oxygen atom(s) and 1 Sulfur atom(s) - a total of 18 atom(s). The molecular weight of 2-Methoxyphenyl isothiocyanate is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:

$$ 165.21228 · \frac{g}{mol} $$

The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.

Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.

3D chemical structure image of 2-Methoxyphenyl isothiocyanate
Ball-and-stick model of 2-Methoxyphenyl isothiocyanate




More Properties of 2-Methoxyphenyl isothiocyanate

For physicochemical, thermodynamic, transport, spectra, and other property data & information, the followings are available from “Mol-Instincts”, a chemical database based on quantum mechanics:







Additional Information for Identifying 2-Methoxyphenyl isothiocyanate Molecule


  • InChI (IUPAC International Chemical Identifier) information of 2-Methoxyphenyl isothiocyanate

    In addition to the molecular weight information, the structural information of 2-Methoxyphenyl isothiocyanate in a textual expression is available via InChi. The full standard InChI of 2-Methoxyphenyl isothiocyanate is given below:

    InChI=1S/C8H7NOS/c1-10-8-5-3-2-4-7(8)9-6-11/h2-5H,1H3

    It can provide a way to encode the molecular information of 2-Methoxyphenyl isothiocyanate 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 2-Methoxyphenyl isothiocyanate is:

    InChIKey=QKAOOWJWWKWWOZ-UHFFFAOYSA-N

    It may allow easier web searches for 2-Methoxyphenyl isothiocyanate. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the 2-Methoxyphenyl isothiocyanate as the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of 2-Methoxyphenyl isothiocyanate

    There may be different names of the 2-Methoxyphenyl isothiocyanate compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:

    • T5786374
    • BBV-104600
    • F1915-0002
    • J-802093
    • I09-2722
    • Z-0146
    • I0512
    • MFCD00011675
    • Benzene,1-isothiocyanato-2-methoxy-
    • ANW-13814
    • 2-Methoxyphenyl isothiocyanate, 98%
    • 1-Isothiocyanato-2-methoxybenzene #
    • 2-isothiocyanato-1-methoxy-benzene
    • HMS1785K11
    • orthomethoxyphenyl isothiocyanate
    • 2-methoxybenzenisothiocyanate
    • Isothiocyanic Acid 2-Methoxyphenyl Ester
    • 1-isothiocyanato-2-methoxy-benzene
    • 2-METHOXYPHENylisoTHIOCYANATE
    • o-Methoxyphenyl isothiocyanate
    • Benzene, 1-isothiocyanato-2-methoxy-
    • 3288-04-8
    • 2-Methoxyphenyl isothiocyanate
    • ZERO/008131

Additional Outstanding Products

2-Methoxyphenyl isothiocyanate Identification Summary Frequently Asked Questions (FAQs)

What’s the formula of 2-Methoxyphenyl isothiocyanate?
C8H7NOS
How many atoms and what are the elements in the 2-Methoxyphenyl isothiocyanate molecule?
18 atom(s) - 7 Hydrogen atom(s), 8 Carbon atom(s), 1 Nitrogen atom(s), 1 Oxygen atom(s) and 1 Sulfur atom(s)
How many chemical bonds and what types of bonds are in the 2-Methoxyphenyl isothiocyanate structure?
18 bond(s) - 11 non-H bond(s), 8 multiple bond(s), 2 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 isothiocyanate(s) (aromatic) and 1 ether(s) (aromatic)
What’s the molar mass of 2-Methoxyphenyl isothiocyanate?
165.21228 g/mol
What’s the SMILES format of 2-Methoxyphenyl isothiocyanate?
COc1ccccc1N=C=S
What’s the InChI format of 2-Methoxyphenyl isothiocyanate?
InChI=1S/C8H7NOS/c1-10-8-5-3-2-4-7(8)9-6-11/h2-5H,1H3
What’s the InChIKey string of 2-Methoxyphenyl isothiocyanate?
QKAOOWJWWKWWOZ-UHFFFAOYSA-N

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Source: Mol-Instincts Chemical Database, Predicted on Quantum.
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