4-thiophen-3-ylthiophene-2-carbonitrile

C9H5NS2 — CID 171537963

IUPAC4-thiophen-3-ylthiophene-2-carbonitrile
SMILESN#Cc1cc(-c2ccsc2)cs1
InChIInChI=1S/C9H5NS2/c10-4-9-3-8(6-12-9)7-1-2-11-5-7/h1-3,5-6H
InChIKeyZJKWRPBNNRGIMR-UHFFFAOYSA-N
MW191.28 g/mol
LogP3.35
Rot. Bonds1

About 4-thiophen-3-ylthiophene-2-carbonitrile

4-thiophen-3-ylthiophene-2-carbonitrile (PubChem CID 171537963) has the molecular formula C9H5NS2 and a molecular weight of 191.28 g/mol. Its IUPAC name is 4-thiophen-3-ylthiophene-2-carbonitrile.

Molecular Properties

Compound Name4-thiophen-3-ylthiophene-2-carbonitrile
PubChem CID171537963
Molecular FormulaC9H5NS2
Molecular Weight191.28 g/mol
Exact Mass190.99
IUPAC Name4-thiophen-3-ylthiophene-2-carbonitrile
SMILESN#Cc1cc(-c2ccsc2)cs1
InChIInChI=1S/C9H5NS2/c10-4-9-3-8(6-12-9)7-1-2-11-5-7/h1-3,5-6H
InChIKeyZJKWRPBNNRGIMR-UHFFFAOYSA-N
XLogP3.35
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethynyl-4-thiophen-3-ylthiophene
CID 122241615
4-(4-aminophenyl)thiophene-2-carbonitrile
CID 131392476
5-(5-cyanothiophen-3-yl)thiophene-2-carbonitrile
CID 171537965
3-(4-thiophen-3-ylphenyl)thiophene
CID 91665249
2-amino-5-thiophen-3-ylbenzonitrile
CID 23434182
2-phenyl-4-thiophen-3-ylthiophene
CID 57030400
4,6-dihydroxy-2-thiophen-3-ylbenzene-1,3-dicarbonitrile
CID 141380406
4-[4-(6-oxo-2,3-dihydropyridin-1-yl)phenyl]thiophene-2-carbonitrile
CID 166854907
cyclopenta[c]thiopyran
CID 584139
N-[5-(5-cyanothiophen-3-yl)-2-methylphenyl]-4-hydroxybenzenesulfonamide
CID 67283512
2-(2-thiophen-3-yl-4-pyridinyl)pyridine-4-carbonitrile
CID 162413729
4-(2,2,4-trimethyl-1H-quinolin-6-yl)thiophene-2-carbonitrile
CID 10446402

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-3-ylthiophene-2-carbonitrile?
The IUPAC name of 4-thiophen-3-ylthiophene-2-carbonitrile (CID 171537963) is 4-thiophen-3-ylthiophene-2-carbonitrile.
What is the SMILES notation for 4-thiophen-3-ylthiophene-2-carbonitrile?
The canonical SMILES for 4-thiophen-3-ylthiophene-2-carbonitrile is N#Cc1cc(-c2ccsc2)cs1.
What is the InChIKey of 4-thiophen-3-ylthiophene-2-carbonitrile?
The InChIKey is ZJKWRPBNNRGIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5NS2/c10-4-9-3-8(6-12-9)7-1-2-11-5-7/h1-3,5-6H.
What are the key properties of 4-thiophen-3-ylthiophene-2-carbonitrile?
4-thiophen-3-ylthiophene-2-carbonitrile has a molecular weight of 191.28 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-3-ylthiophene-2-carbonitrile is sourced from PubChem (CID 171537963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).