6-amino-7-sulfanyl-1-benzothiophen-4-ol

C8H7NOS2 — CID 130971932

IUPAC6-amino-7-sulfanyl-1-benzothiophen-4-ol
SMILESNc1cc(O)c2ccsc2c1S
InChIInChI=1S/C8H7NOS2/c9-5-3-6(10)4-1-2-12-8(4)7(5)11/h1-3,10-11H,9H2
InChIKeyCMNQHYDQROBBDB-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.48
Rot. Bonds

About 6-amino-7-sulfanyl-1-benzothiophen-4-ol

6-amino-7-sulfanyl-1-benzothiophen-4-ol (PubChem CID 130971932) has the molecular formula C8H7NOS2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 6-amino-7-sulfanyl-1-benzothiophen-4-ol.

Molecular Properties

Compound Name6-amino-7-sulfanyl-1-benzothiophen-4-ol
PubChem CID130971932
Molecular FormulaC8H7NOS2
Molecular Weight197.28 g/mol
Exact Mass197.00
IUPAC Name6-amino-7-sulfanyl-1-benzothiophen-4-ol
SMILESNc1cc(O)c2ccsc2c1S
InChIInChI=1S/C8H7NOS2/c9-5-3-6(10)4-1-2-12-8(4)7(5)11/h1-3,10-11H,9H2
InChIKeyCMNQHYDQROBBDB-UHFFFAOYSA-N
XLogP2.48
TPSA46.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 6-amino-7-sulfanyl-1-benzothiophen-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-amino-5-sulfanyl-1-benzothiophen-4-ol
CID 130792503
4-amino-1-benzothiophen-7-ol
CID 54042760
4-amino-6-hydroxy-1-benzothiophene-7-carbaldehyde
CID 131145165
4-amino-6-hydroxy-1-benzothiophene-7-carbonitrile
CID 130883199
5-amino-7-hydroxy-1-benzothiophene-4-carbonitrile
CID 131080368
6-hydroxy-7-sulfanyl-1-benzothiophene-4-carbaldehyde
CID 131124405
5-amino-7-sulfanyl-1-benzothiophen-6-ol
CID 131122569
4-amino-5-sulfanyl-1-benzothiophen-6-ol
CID 130971922
7-amino-4-sulfanyl-1-benzothiophene-5-carboxylic acid
CID 130788787
7-(hydroxymethyl)-4-sulfanyl-1-benzothiophen-5-ol
CID 131196046
6-amino-7-chloro-1-benzothiophene-4-thiol
CID 130803456
4,6-diiodo-1-benzothiophene-7-thiol
CID 130969520

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-sulfanyl-1-benzothiophen-4-ol?
The IUPAC name of 6-amino-7-sulfanyl-1-benzothiophen-4-ol (CID 130971932) is 6-amino-7-sulfanyl-1-benzothiophen-4-ol.
What is the SMILES notation for 6-amino-7-sulfanyl-1-benzothiophen-4-ol?
The canonical SMILES for 6-amino-7-sulfanyl-1-benzothiophen-4-ol is Nc1cc(O)c2ccsc2c1S.
What is the InChIKey of 6-amino-7-sulfanyl-1-benzothiophen-4-ol?
The InChIKey is CMNQHYDQROBBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NOS2/c9-5-3-6(10)4-1-2-12-8(4)7(5)11/h1-3,10-11H,9H2.
What are the key properties of 6-amino-7-sulfanyl-1-benzothiophen-4-ol?
6-amino-7-sulfanyl-1-benzothiophen-4-ol has a molecular weight of 197.28 g/mol, XLogP of 2.48, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-sulfanyl-1-benzothiophen-4-ol is sourced from PubChem (CID 130971932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).