1-benzothiophene-5,6-dicarbonitrile

C10H4N2S — CID 14716418

IUPAC1-benzothiophene-5,6-dicarbonitrile
SMILESN#Cc1cc2ccsc2cc1C#N
InChIInChI=1S/C10H4N2S/c11-5-8-3-7-1-2-13-10(7)4-9(8)6-12/h1-4H
InChIKeyAZARDVPIOVPJRK-UHFFFAOYSA-N
MW184.22 g/mol
LogP2.64
Rot. Bonds

About 1-benzothiophene-5,6-dicarbonitrile

1-benzothiophene-5,6-dicarbonitrile (PubChem CID 14716418) has the molecular formula C10H4N2S and a molecular weight of 184.22 g/mol. Its IUPAC name is 1-benzothiophene-5,6-dicarbonitrile.

Molecular Properties

Compound Name1-benzothiophene-5,6-dicarbonitrile
PubChem CID14716418
Molecular FormulaC10H4N2S
Molecular Weight184.22 g/mol
Exact Mass184.01
IUPAC Name1-benzothiophene-5,6-dicarbonitrile
SMILESN#Cc1cc2ccsc2cc1C#N
InChIInChI=1S/C10H4N2S/c11-5-8-3-7-1-2-13-10(7)4-9(8)6-12/h1-4H
InChIKeyAZARDVPIOVPJRK-UHFFFAOYSA-N
XLogP2.64
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-cyano-1-benzothiophen-6-yl)boronic acid
CID 71143920
6,7-difluoro-1-benzothiophene-5-carbonitrile
CID 131219396
naphthalene-2,3,6,7-tetracarbonitrile
CID 66972136
6-chlorothieno[2,3-b]pyridine-5-carbonitrile
CID 82400712
6-aminothieno[2,3-b]pyridine-5-carbonitrile
CID 23130750
6-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile
CID 82410886
naphthalene-2,3-dicarbonitrile
CID 601270
2-(1-benzothiophen-5-ylamino)-4-bromobenzonitrile
CID 114901953
2-(1-benzothiophen-5-ylamino)-5-chlorobenzonitrile
CID 65475337
2-hydroxy-1-benzothiophene-5,6-dicarbonitrile
CID 130816987
2,5-dithiophen-2-ylbenzene-1,4-dicarbonitrile
CID 3632903
benzene-1,2,4,5-tetracarbonitrile
CID 12838

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophene-5,6-dicarbonitrile?
The IUPAC name of 1-benzothiophene-5,6-dicarbonitrile (CID 14716418) is 1-benzothiophene-5,6-dicarbonitrile.
What is the SMILES notation for 1-benzothiophene-5,6-dicarbonitrile?
The canonical SMILES for 1-benzothiophene-5,6-dicarbonitrile is N#Cc1cc2ccsc2cc1C#N.
What is the InChIKey of 1-benzothiophene-5,6-dicarbonitrile?
The InChIKey is AZARDVPIOVPJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4N2S/c11-5-8-3-7-1-2-13-10(7)4-9(8)6-12/h1-4H.
What are the key properties of 1-benzothiophene-5,6-dicarbonitrile?
1-benzothiophene-5,6-dicarbonitrile has a molecular weight of 184.22 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophene-5,6-dicarbonitrile is sourced from PubChem (CID 14716418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).