3-chlorothiophene-2-carbonitrile

C5H2ClNS — CID 2757438

IUPAC3-chlorothiophene-2-carbonitrile
SMILESN#Cc1sccc1Cl
InChIInChI=1S/C5H2ClNS/c6-4-1-2-8-5(4)3-7/h1-2H
InChIKeyFPGDDWCTBDGPAD-UHFFFAOYSA-N
MW143.60 g/mol
LogP2.27
Rot. Bonds

About 3-chlorothiophene-2-carbonitrile

3-chlorothiophene-2-carbonitrile (PubChem CID 2757438) has the molecular formula C5H2ClNS and a molecular weight of 143.60 g/mol. Its IUPAC name is 3-chlorothiophene-2-carbonitrile.

Molecular Properties

Compound Name3-chlorothiophene-2-carbonitrile
PubChem CID2757438
Molecular FormulaC5H2ClNS
Molecular Weight143.60 g/mol
Exact Mass142.96
IUPAC Name3-chlorothiophene-2-carbonitrile
SMILESN#Cc1sccc1Cl
InChIInChI=1S/C5H2ClNS/c6-4-1-2-8-5(4)3-7/h1-2H
InChIKeyFPGDDWCTBDGPAD-UHFFFAOYSA-N
XLogP2.27
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.60
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chlorothiophene-2-carbonitrile?
The IUPAC name of 3-chlorothiophene-2-carbonitrile (CID 2757438) is 3-chlorothiophene-2-carbonitrile.
What is the SMILES notation for 3-chlorothiophene-2-carbonitrile?
The canonical SMILES for 3-chlorothiophene-2-carbonitrile is N#Cc1sccc1Cl.
What is the InChIKey of 3-chlorothiophene-2-carbonitrile?
The InChIKey is FPGDDWCTBDGPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClNS/c6-4-1-2-8-5(4)3-7/h1-2H.
What are the key properties of 3-chlorothiophene-2-carbonitrile?
3-chlorothiophene-2-carbonitrile has a molecular weight of 143.60 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorothiophene-2-carbonitrile is sourced from PubChem (CID 2757438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).