7-chloro-1-benzothiophene-4-carbonitrile

C9H4ClNS — CID 130063068

IUPAC7-chloro-1-benzothiophene-4-carbonitrile
SMILESN#Cc1ccc(Cl)c2sccc12
InChIInChI=1S/C9H4ClNS/c10-8-2-1-6(5-11)7-3-4-12-9(7)8/h1-4H
InChIKeyFLVKGTGYQBPVNL-UHFFFAOYSA-N
MW193.66 g/mol
LogP3.43
Rot. Bonds

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

7-chloro-1-benzothiophene-4-carbonitrile (PubChem CID 130063068) has the molecular formula C9H4ClNS and a molecular weight of 193.66 g/mol. Its IUPAC name is 7-chloro-1-benzothiophene-4-carbonitrile.

Molecular Properties

Compound Name7-chloro-1-benzothiophene-4-carbonitrile
PubChem CID130063068
Molecular FormulaC9H4ClNS
Molecular Weight193.66 g/mol
Exact Mass192.98
IUPAC Name7-chloro-1-benzothiophene-4-carbonitrile
SMILESN#Cc1ccc(Cl)c2sccc12
InChIInChI=1S/C9H4ClNS/c10-8-2-1-6(5-11)7-3-4-12-9(7)8/h1-4H
InChIKeyFLVKGTGYQBPVNL-UHFFFAOYSA-N
XLogP3.43
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.66
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,7-dichloro-1-benzothiophene-5-carbonitrile
CID 91882062
7-methyl-1-benzothiophene-4-carbonitrile
CID 129152036
7-chloro-4-hydroxy-1-benzothiophene-5-carbonitrile
CID 130941944
7-(hydroxymethyl)-1-benzothiophene-4-carbonitrile
CID 162352285
7-(chloromethyl)-6-iodo-1-benzothiophene-4-carbonitrile
CID 130951708
4-chloro-7-(chloromethyl)-1-benzothiophene-5-carbonitrile
CID 130898597
2-chlorothiophene-3-carbonitrile
CID 14710956
7-amino-6-bromo-1-benzothiophene-4-carbonitrile
CID 130803419
4-methoxy-1-benzothiophene-7-carbonitrile
CID 68709277
4-chloro-7-methylsulfanyl-1-benzothiophene-5-carbonitrile
CID 130926213
7-fluoro-6-methyl-1-benzothiophene-4-carbonitrile
CID 131215711
6-chloro-7-(chloromethyl)-1-benzothiophene-3-carbonitrile
CID 130792406

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-benzothiophene-4-carbonitrile?
The IUPAC name of 7-chloro-1-benzothiophene-4-carbonitrile (CID 130063068) is 7-chloro-1-benzothiophene-4-carbonitrile.
What is the SMILES notation for 7-chloro-1-benzothiophene-4-carbonitrile?
The canonical SMILES for 7-chloro-1-benzothiophene-4-carbonitrile is N#Cc1ccc(Cl)c2sccc12.
What is the InChIKey of 7-chloro-1-benzothiophene-4-carbonitrile?
The InChIKey is FLVKGTGYQBPVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClNS/c10-8-2-1-6(5-11)7-3-4-12-9(7)8/h1-4H.
What are the key properties of 7-chloro-1-benzothiophene-4-carbonitrile?
7-chloro-1-benzothiophene-4-carbonitrile has a molecular weight of 193.66 g/mol, XLogP of 3.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-benzothiophene-4-carbonitrile is sourced from PubChem (CID 130063068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).