3-methylthiophene-2-carbonitrile

C6H5NS — CID 521617

IUPAC3-methylthiophene-2-carbonitrile
SMILESCc1ccsc1C#N
InChIInChI=1S/C6H5NS/c1-5-2-3-8-6(5)4-7/h2-3H,1H3
InChIKeyALZHYEITUZEZMT-UHFFFAOYSA-N
MW123.18 g/mol
LogP1.93
Rot. Bonds

About 3-methylthiophene-2-carbonitrile

3-methylthiophene-2-carbonitrile (PubChem CID 521617) has the molecular formula C6H5NS and a molecular weight of 123.18 g/mol. Its IUPAC name is 3-methylthiophene-2-carbonitrile.

Molecular Properties

Compound Name3-methylthiophene-2-carbonitrile
PubChem CID521617
Molecular FormulaC6H5NS
Molecular Weight123.18 g/mol
Exact Mass123.01
IUPAC Name3-methylthiophene-2-carbonitrile
SMILESCc1ccsc1C#N
InChIInChI=1S/C6H5NS/c1-5-2-3-8-6(5)4-7/h2-3H,1H3
InChIKeyALZHYEITUZEZMT-UHFFFAOYSA-N
XLogP1.93
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.18
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Dimethylthiophene
CID 34295
2-Thienylacetonitrile
CID 72880
2-Thiophenecarbonitrile
CID 66087
3-Thienylacetonitrile
CID 83730
3-(2-Thienyl)acrylonitrile
CID 5463349
2-(Thiophen-2-yl)malononitrile
CID 34175
5-Methylthiophene-2-carbonitrile
CID 312733
2-(1-Thiophen-2-YL-ethylidene)-malononitrile
CID 263650
(E)-3-phenyl-2-thiophen-2-ylprop-2-enenitrile
CID 819034
2-(Thiophen-2-yl)propanenitrile
CID 10942499
4-Hexylthiophene-2-carbonitrile
CID 58420906
2,3-Thiophenedicarbonitrile
CID 288492

Frequently Asked Questions

What is the IUPAC name of 3-methylthiophene-2-carbonitrile?
The IUPAC name of 3-methylthiophene-2-carbonitrile (CID 521617) is 3-methylthiophene-2-carbonitrile.
What is the SMILES notation for 3-methylthiophene-2-carbonitrile?
The canonical SMILES for 3-methylthiophene-2-carbonitrile is Cc1ccsc1C#N.
What is the InChIKey of 3-methylthiophene-2-carbonitrile?
The InChIKey is ALZHYEITUZEZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NS/c1-5-2-3-8-6(5)4-7/h2-3H,1H3.
What are the key properties of 3-methylthiophene-2-carbonitrile?
3-methylthiophene-2-carbonitrile has a molecular weight of 123.18 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylthiophene-2-carbonitrile is sourced from PubChem (CID 521617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).