3-amino-7-hydroxy-1-benzothiophene-2-carbonitrile

C9H6N2OS — CID 83817935

IUPAC3-amino-7-hydroxy-1-benzothiophene-2-carbonitrile
SMILESN#Cc1sc2c(O)cccc2c1N
InChIInChI=1S/C9H6N2OS/c10-4-7-8(11)5-2-1-3-6(12)9(5)13-7/h1-3,12H,11H2
InChIKeySUSHZZUOVHOBIU-UHFFFAOYSA-N
MW190.23 g/mol
LogP2.06
Rot. Bonds

About 3-amino-7-hydroxy-1-benzothiophene-2-carbonitrile

3-amino-7-hydroxy-1-benzothiophene-2-carbonitrile (PubChem CID 83817935) has the molecular formula C9H6N2OS and a molecular weight of 190.23 g/mol. Its IUPAC name is 3-amino-7-hydroxy-1-benzothiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-7-hydroxy-1-benzothiophene-2-carbonitrile
PubChem CID83817935
Molecular FormulaC9H6N2OS
Molecular Weight190.23 g/mol
Exact Mass190.02
IUPAC Name3-amino-7-hydroxy-1-benzothiophene-2-carbonitrile
SMILESN#Cc1sc2c(O)cccc2c1N
InChIInChI=1S/C9H6N2OS/c10-4-7-8(11)5-2-1-3-6(12)9(5)13-7/h1-3,12H,11H2
InChIKeySUSHZZUOVHOBIU-UHFFFAOYSA-N
XLogP2.06
TPSA70.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-hydroxy-3-sulfanyl-1-benzothiophene-2-carbonitrile
CID 131169600
7-hydroxy-3-(hydroxymethyl)-1-benzothiophene-2-carbonitrile
CID 131002187
3-amino-1-benzothiophene-2-carbonitrile
CID 821951
7-amino-3-ethyl-1-benzothiophene-2-carbonitrile
CID 130792126
3-amino-6-methyl-1-benzothiophene-2-carbonitrile
CID 130969369
2-(bromomethyl)-1-benzothiophene-3,7-diol
CID 130969357
9-chlorodibenzothiophen-4-ol
CID 166591681
2-(2-aminoethyl)-1-benzothiophene-3,7-diol
CID 112546073
3-amino-5-methoxy-1-benzothiophene-2-carbonitrile
CID 83819711
6-amino-3-hydroxy-1-benzothiophene-2-carbonitrile
CID 131138174
3-amino-6-(furan-2-yl)thieno[2,3-b]pyridin-7-ium-2-carbonitrile
CID 4746604
5-amino-7-hydroxy-1-benzothiophene-4-carbonitrile
CID 131080368

Frequently Asked Questions

What is the IUPAC name of 3-amino-7-hydroxy-1-benzothiophene-2-carbonitrile?
The IUPAC name of 3-amino-7-hydroxy-1-benzothiophene-2-carbonitrile (CID 83817935) is 3-amino-7-hydroxy-1-benzothiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-7-hydroxy-1-benzothiophene-2-carbonitrile?
The canonical SMILES for 3-amino-7-hydroxy-1-benzothiophene-2-carbonitrile is N#Cc1sc2c(O)cccc2c1N.
What is the InChIKey of 3-amino-7-hydroxy-1-benzothiophene-2-carbonitrile?
The InChIKey is SUSHZZUOVHOBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2OS/c10-4-7-8(11)5-2-1-3-6(12)9(5)13-7/h1-3,12H,11H2.
What are the key properties of 3-amino-7-hydroxy-1-benzothiophene-2-carbonitrile?
3-amino-7-hydroxy-1-benzothiophene-2-carbonitrile has a molecular weight of 190.23 g/mol, XLogP of 2.06, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-hydroxy-1-benzothiophene-2-carbonitrile is sourced from PubChem (CID 83817935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).