2-hydroxy-1-benzothiophene-3,4-dicarbonitrile

C10H4N2OS — CID 130816979

IUPAC2-hydroxy-1-benzothiophene-3,4-dicarbonitrile
SMILESN#Cc1cccc2sc(O)c(C#N)c12
InChIInChI=1S/C10H4N2OS/c11-4-6-2-1-3-8-9(6)7(5-12)10(13)14-8/h1-3,13H
InChIKeyACGNEHKPFNNBGZ-UHFFFAOYSA-N
MW200.22 g/mol
LogP2.35
Rot. Bonds

About 2-hydroxy-1-benzothiophene-3,4-dicarbonitrile

2-hydroxy-1-benzothiophene-3,4-dicarbonitrile (PubChem CID 130816979) has the molecular formula C10H4N2OS and a molecular weight of 200.22 g/mol. Its IUPAC name is 2-hydroxy-1-benzothiophene-3,4-dicarbonitrile.

Molecular Properties

Compound Name2-hydroxy-1-benzothiophene-3,4-dicarbonitrile
PubChem CID130816979
Molecular FormulaC10H4N2OS
Molecular Weight200.22 g/mol
Exact Mass200.00
IUPAC Name2-hydroxy-1-benzothiophene-3,4-dicarbonitrile
SMILESN#Cc1cccc2sc(O)c(C#N)c12
InChIInChI=1S/C10H4N2OS/c11-4-6-2-1-3-8-9(6)7(5-12)10(13)14-8/h1-3,13H
InChIKeyACGNEHKPFNNBGZ-UHFFFAOYSA-N
XLogP2.35
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-aminodibenzothiophene-1-carbonitrile
CID 146518080
2-bromo-3-(hydroxymethyl)-1-benzothiophene-4-carbonitrile
CID 131014306
2-bromo-3-methyl-1-benzothiophene-4-carbonitrile
CID 130820883
3-amino-2-methylsulfanyl-1-benzothiophene-4-carbonitrile
CID 130898218
3-iodo-1-benzothiophene-4-carbonitrile
CID 176569113
naphthalene-1,2,8-tricarbonitrile
CID 54287628
3-[2-(2,3-dicyanophenyl)ethynyl]benzene-1,2-dicarbonitrile
CID 176917652
(3-cyano-2-hydroxyphenyl)azanium
CID 171811404
4-amino-2-sulfanyl-1-benzothiophene-3-carbonitrile
CID 131191571
3,4-difluoro-1-benzothiophen-2-ol
CID 131053776
2-[3-(2-cyanophenyl)-5-[3,5-di(dibenzothiophen-1-yl)phenyl]phenyl]benzonitrile
CID 146354734
2-(2-chloro-3-hydroxy-1-benzothiophen-4-yl)acetonitrile
CID 131218580

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-benzothiophene-3,4-dicarbonitrile?
The IUPAC name of 2-hydroxy-1-benzothiophene-3,4-dicarbonitrile (CID 130816979) is 2-hydroxy-1-benzothiophene-3,4-dicarbonitrile.
What is the SMILES notation for 2-hydroxy-1-benzothiophene-3,4-dicarbonitrile?
The canonical SMILES for 2-hydroxy-1-benzothiophene-3,4-dicarbonitrile is N#Cc1cccc2sc(O)c(C#N)c12.
What is the InChIKey of 2-hydroxy-1-benzothiophene-3,4-dicarbonitrile?
The InChIKey is ACGNEHKPFNNBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4N2OS/c11-4-6-2-1-3-8-9(6)7(5-12)10(13)14-8/h1-3,13H.
What are the key properties of 2-hydroxy-1-benzothiophene-3,4-dicarbonitrile?
2-hydroxy-1-benzothiophene-3,4-dicarbonitrile has a molecular weight of 200.22 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-benzothiophene-3,4-dicarbonitrile is sourced from PubChem (CID 130816979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).