2,5-dimethylthiophene-3-carbonitrile

C7H7NS — CID 18785904

IUPAC2,5-dimethylthiophene-3-carbonitrile
SMILESCc1cc(C#N)c(C)s1
InChIInChI=1S/C7H7NS/c1-5-3-7(4-8)6(2)9-5/h3H,1-2H3
InChIKeyWVDRPXZCCUCIAF-UHFFFAOYSA-N
MW137.21 g/mol
LogP2.24
Rot. Bonds

About 2,5-dimethylthiophene-3-carbonitrile

2,5-dimethylthiophene-3-carbonitrile (PubChem CID 18785904) has the molecular formula C7H7NS and a molecular weight of 137.21 g/mol. Its IUPAC name is 2,5-dimethylthiophene-3-carbonitrile.

Molecular Properties

Compound Name2,5-dimethylthiophene-3-carbonitrile
PubChem CID18785904
Molecular FormulaC7H7NS
Molecular Weight137.21 g/mol
Exact Mass137.03
IUPAC Name2,5-dimethylthiophene-3-carbonitrile
SMILESCc1cc(C#N)c(C)s1
InChIInChI=1S/C7H7NS/c1-5-3-7(4-8)6(2)9-5/h3H,1-2H3
InChIKeyWVDRPXZCCUCIAF-UHFFFAOYSA-N
XLogP2.24
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.21
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylthiophene-3-carbonitrile?
The IUPAC name of 2,5-dimethylthiophene-3-carbonitrile (CID 18785904) is 2,5-dimethylthiophene-3-carbonitrile.
What is the SMILES notation for 2,5-dimethylthiophene-3-carbonitrile?
The canonical SMILES for 2,5-dimethylthiophene-3-carbonitrile is Cc1cc(C#N)c(C)s1.
What is the InChIKey of 2,5-dimethylthiophene-3-carbonitrile?
The InChIKey is WVDRPXZCCUCIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NS/c1-5-3-7(4-8)6(2)9-5/h3H,1-2H3.
What are the key properties of 2,5-dimethylthiophene-3-carbonitrile?
2,5-dimethylthiophene-3-carbonitrile has a molecular weight of 137.21 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylthiophene-3-carbonitrile is sourced from PubChem (CID 18785904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).