4-amino-6-hydroxy-1-benzothiophene-7-carbonitrile

C9H6N2OS — CID 130883199

IUPAC4-amino-6-hydroxy-1-benzothiophene-7-carbonitrile
SMILESN#Cc1c(O)cc(N)c2ccsc12
InChIInChI=1S/C9H6N2OS/c10-4-6-8(12)3-7(11)5-1-2-13-9(5)6/h1-3,12H,11H2
InChIKeyMMSIZPPHXFWEEE-UHFFFAOYSA-N
MW190.23 g/mol
LogP2.06
Rot. Bonds

About 4-amino-6-hydroxy-1-benzothiophene-7-carbonitrile

4-amino-6-hydroxy-1-benzothiophene-7-carbonitrile (PubChem CID 130883199) has the molecular formula C9H6N2OS and a molecular weight of 190.23 g/mol. Its IUPAC name is 4-amino-6-hydroxy-1-benzothiophene-7-carbonitrile.

Molecular Properties

Compound Name4-amino-6-hydroxy-1-benzothiophene-7-carbonitrile
PubChem CID130883199
Molecular FormulaC9H6N2OS
Molecular Weight190.23 g/mol
Exact Mass190.02
IUPAC Name4-amino-6-hydroxy-1-benzothiophene-7-carbonitrile
SMILESN#Cc1c(O)cc(N)c2ccsc12
InChIInChI=1S/C9H6N2OS/c10-4-6-8(12)3-7(11)5-1-2-13-9(5)6/h1-3,12H,11H2
InChIKeyMMSIZPPHXFWEEE-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-7-hydroxy-1-benzothiophene-4-carbonitrile
CID 131080368
6-amino-4-sulfanyl-1-benzothiophene-7-carbonitrile
CID 130826550
5-hydroxy-7-sulfanyl-1-benzothiophene-4-carbonitrile
CID 130805806
4-amino-6-hydroxy-1-benzothiophene-7-carbaldehyde
CID 131145165
5-amino-7-(hydroxymethyl)-1-benzothiophene-4-carbonitrile
CID 131059874
5,7-dihydroxy-1-benzothiophene-6-carbonitrile
CID 131091563
4-amino-1-benzothiophen-7-ol
CID 54042760
6-amino-7-sulfanyl-1-benzothiophen-4-ol
CID 130971932
7-amino-5-sulfanyl-1-benzothiophen-4-ol
CID 130792503
7-amino-5-(chloromethyl)-1-benzothiophene-4-carbonitrile
CID 131053969
2-(7-amino-4-hydroxy-1-benzothiophen-5-yl)acetonitrile
CID 130821249
6-chloro-4-(hydroxymethyl)-1-benzothiophene-7-carbonitrile
CID 130884788

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-hydroxy-1-benzothiophene-7-carbonitrile?
The IUPAC name of 4-amino-6-hydroxy-1-benzothiophene-7-carbonitrile (CID 130883199) is 4-amino-6-hydroxy-1-benzothiophene-7-carbonitrile.
What is the SMILES notation for 4-amino-6-hydroxy-1-benzothiophene-7-carbonitrile?
The canonical SMILES for 4-amino-6-hydroxy-1-benzothiophene-7-carbonitrile is N#Cc1c(O)cc(N)c2ccsc12.
What is the InChIKey of 4-amino-6-hydroxy-1-benzothiophene-7-carbonitrile?
The InChIKey is MMSIZPPHXFWEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2OS/c10-4-6-8(12)3-7(11)5-1-2-13-9(5)6/h1-3,12H,11H2.
What are the key properties of 4-amino-6-hydroxy-1-benzothiophene-7-carbonitrile?
4-amino-6-hydroxy-1-benzothiophene-7-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 4-amino-6-hydroxy-1-benzothiophene-7-carbonitrile is sourced from PubChem (CID 130883199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).