4-methylthiophene-2-carbonitrile

C6H5NS — CID 2761189

IUPAC4-methylthiophene-2-carbonitrile
SMILESCc1csc(C#N)c1
InChIInChI=1S/C6H5NS/c1-5-2-6(3-7)8-4-5/h2,4H,1H3
InChIKeyKQMGQUQOZSZRBI-UHFFFAOYSA-N
MW123.18 g/mol
LogP1.93
Rot. Bonds

About 4-methylthiophene-2-carbonitrile

4-methylthiophene-2-carbonitrile (PubChem CID 2761189) has the molecular formula C6H5NS and a molecular weight of 123.18 g/mol. Its IUPAC name is 4-methylthiophene-2-carbonitrile.

Molecular Properties

Compound Name4-methylthiophene-2-carbonitrile
PubChem CID2761189
Molecular FormulaC6H5NS
Molecular Weight123.18 g/mol
Exact Mass123.01
IUPAC Name4-methylthiophene-2-carbonitrile
SMILESCc1csc(C#N)c1
InChIInChI=1S/C6H5NS/c1-5-2-6(3-7)8-4-5/h2,4H,1H3
InChIKeyKQMGQUQOZSZRBI-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 4-methylthiophene-2-carbonitrile?
The IUPAC name of 4-methylthiophene-2-carbonitrile (CID 2761189) is 4-methylthiophene-2-carbonitrile.
What is the SMILES notation for 4-methylthiophene-2-carbonitrile?
The canonical SMILES for 4-methylthiophene-2-carbonitrile is Cc1csc(C#N)c1.
What is the InChIKey of 4-methylthiophene-2-carbonitrile?
The InChIKey is KQMGQUQOZSZRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NS/c1-5-2-6(3-7)8-4-5/h2,4H,1H3.
What are the key properties of 4-methylthiophene-2-carbonitrile?
4-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 4-methylthiophene-2-carbonitrile is sourced from PubChem (CID 2761189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).