4-chloro-7-methylsulfanyl-1-benzothiophene-5-carbonitrile

C10H6ClNS2 — CID 130926213

IUPAC4-chloro-7-methylsulfanyl-1-benzothiophene-5-carbonitrile
SMILESCSc1cc(C#N)c(Cl)c2ccsc12
InChIInChI=1S/C10H6ClNS2/c1-13-8-4-6(5-12)9(11)7-2-3-14-10(7)8/h2-4H,1H3
InChIKeyGCMUSHRCOZSNIW-UHFFFAOYSA-N
MW239.75 g/mol
LogP4.15
Rot. Bonds1

About 4-chloro-7-methylsulfanyl-1-benzothiophene-5-carbonitrile

4-chloro-7-methylsulfanyl-1-benzothiophene-5-carbonitrile (PubChem CID 130926213) has the molecular formula C10H6ClNS2 and a molecular weight of 239.75 g/mol. Its IUPAC name is 4-chloro-7-methylsulfanyl-1-benzothiophene-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-7-methylsulfanyl-1-benzothiophene-5-carbonitrile
PubChem CID130926213
Molecular FormulaC10H6ClNS2
Molecular Weight239.75 g/mol
Exact Mass238.96
IUPAC Name4-chloro-7-methylsulfanyl-1-benzothiophene-5-carbonitrile
SMILESCSc1cc(C#N)c(Cl)c2ccsc12
InChIInChI=1S/C10H6ClNS2/c1-13-8-4-6(5-12)9(11)7-2-3-14-10(7)8/h2-4H,1H3
InChIKeyGCMUSHRCOZSNIW-UHFFFAOYSA-N
XLogP4.15
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-7-methylsulfanyl-1-benzothiophene-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-dichloro-7-methylsulfanyl-1-benzothiophene
CID 130825861
4,7-dichloro-1-benzothiophene-5-carbonitrile
CID 91882062
4-methylsulfanyl-7-sulfanyl-1-benzothiophene-6-carbonitrile
CID 130970953
4-chloro-7-(chloromethyl)-1-benzothiophene-5-carbonitrile
CID 130898597
6-chloro-4-methylsulfanyl-1-benzothiophene-7-carbonitrile
CID 131191503
7-chloro-1-benzothiophene-4-carbonitrile
CID 130063068
4-fluoro-5-iodo-7-methylsulfanyl-1-benzothiophene
CID 131145532
7-chloro-6-(chloromethyl)-4-methylsulfanyl-1-benzothiophene
CID 130926327
3-chloro-7-methylsulfanyl-1-benzothiophene-4-carbonitrile
CID 131190906
(7-methylsulfanyl-5-sulfanyl-1-benzothiophen-4-yl)methanol
CID 130857326
7-fluoro-6-methyl-1-benzothiophene-4-carbonitrile
CID 131215711
7-bromo-4-chloro-6-methylsulfanyl-1-benzothiophene
CID 130970948

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-methylsulfanyl-1-benzothiophene-5-carbonitrile?
The IUPAC name of 4-chloro-7-methylsulfanyl-1-benzothiophene-5-carbonitrile (CID 130926213) is 4-chloro-7-methylsulfanyl-1-benzothiophene-5-carbonitrile.
What is the SMILES notation for 4-chloro-7-methylsulfanyl-1-benzothiophene-5-carbonitrile?
The canonical SMILES for 4-chloro-7-methylsulfanyl-1-benzothiophene-5-carbonitrile is CSc1cc(C#N)c(Cl)c2ccsc12.
What is the InChIKey of 4-chloro-7-methylsulfanyl-1-benzothiophene-5-carbonitrile?
The InChIKey is GCMUSHRCOZSNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNS2/c1-13-8-4-6(5-12)9(11)7-2-3-14-10(7)8/h2-4H,1H3.
What are the key properties of 4-chloro-7-methylsulfanyl-1-benzothiophene-5-carbonitrile?
4-chloro-7-methylsulfanyl-1-benzothiophene-5-carbonitrile has a molecular weight of 239.75 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-methylsulfanyl-1-benzothiophene-5-carbonitrile is sourced from PubChem (CID 130926213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).