2-methylthiophene-3-carbonitrile

C6H5NS — CID 12565787

IUPAC2-methylthiophene-3-carbonitrile
SMILESCc1sccc1C#N
InChIInChI=1S/C6H5NS/c1-5-6(4-7)2-3-8-5/h2-3H,1H3
InChIKeyQIHQWIAXCSASJY-UHFFFAOYSA-N
MW123.18 g/mol
LogP1.93
Rot. Bonds

About 2-methylthiophene-3-carbonitrile

2-methylthiophene-3-carbonitrile (PubChem CID 12565787) has the molecular formula C6H5NS and a molecular weight of 123.18 g/mol. Its IUPAC name is 2-methylthiophene-3-carbonitrile.

Molecular Properties

Compound Name2-methylthiophene-3-carbonitrile
PubChem CID12565787
Molecular FormulaC6H5NS
Molecular Weight123.18 g/mol
Exact Mass123.01
IUPAC Name2-methylthiophene-3-carbonitrile
SMILESCc1sccc1C#N
InChIInChI=1S/C6H5NS/c1-5-6(4-7)2-3-8-5/h2-3H,1H3
InChIKeyQIHQWIAXCSASJY-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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Frequently Asked Questions

What is the IUPAC name of 2-methylthiophene-3-carbonitrile?
The IUPAC name of 2-methylthiophene-3-carbonitrile (CID 12565787) is 2-methylthiophene-3-carbonitrile.
What is the SMILES notation for 2-methylthiophene-3-carbonitrile?
The canonical SMILES for 2-methylthiophene-3-carbonitrile is Cc1sccc1C#N.
What is the InChIKey of 2-methylthiophene-3-carbonitrile?
The InChIKey is QIHQWIAXCSASJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NS/c1-5-6(4-7)2-3-8-5/h2-3H,1H3.
What are the key properties of 2-methylthiophene-3-carbonitrile?
2-methylthiophene-3-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 2-methylthiophene-3-carbonitrile is sourced from PubChem (CID 12565787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).