6-amino-7-chloro-1-benzothiophene-4-thiol

C8H6ClNS2 — CID 130803456

IUPAC6-amino-7-chloro-1-benzothiophene-4-thiol
SMILESNc1cc(S)c2ccsc2c1Cl
InChIInChI=1S/C8H6ClNS2/c9-7-5(10)3-6(11)4-1-2-12-8(4)7/h1-3,11H,10H2
InChIKeyOBFMRVCAGGFDMT-UHFFFAOYSA-N
MW215.73 g/mol
LogP3.43
Rot. Bonds

About 6-amino-7-chloro-1-benzothiophene-4-thiol

6-amino-7-chloro-1-benzothiophene-4-thiol (PubChem CID 130803456) has the molecular formula C8H6ClNS2 and a molecular weight of 215.73 g/mol. Its IUPAC name is 6-amino-7-chloro-1-benzothiophene-4-thiol.

Molecular Properties

Compound Name6-amino-7-chloro-1-benzothiophene-4-thiol
PubChem CID130803456
Molecular FormulaC8H6ClNS2
Molecular Weight215.73 g/mol
Exact Mass214.96
IUPAC Name6-amino-7-chloro-1-benzothiophene-4-thiol
SMILESNc1cc(S)c2ccsc2c1Cl
InChIInChI=1S/C8H6ClNS2/c9-7-5(10)3-6(11)4-1-2-12-8(4)7/h1-3,11H,10H2
InChIKeyOBFMRVCAGGFDMT-UHFFFAOYSA-N
XLogP3.43
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.73
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-bromo-4-chloro-1-benzothiophen-5-amine
CID 130961119
6-amino-4-sulfanyl-1-benzothiophene-7-carbonitrile
CID 130826550
7-amino-5-sulfanyl-1-benzothiophen-4-ol
CID 130792503
4-chloro-7-methoxy-1-benzothiophen-5-amine
CID 131060040
4-chloro-1-benzothiophene-6,7-diamine
CID 131191037
4-chloro-5-(difluoromethyl)-1-benzothiophen-7-amine
CID 130926303
6-amino-7-sulfanyl-1-benzothiophen-4-ol
CID 130971932
4-bromo-5-chloro-1-benzothiophen-6-amine
CID 130925603
4,6-dichloro-1-benzothiophen-7-amine
CID 131198058
4,5-dichloro-7-fluoro-1-benzothiophene
CID 131053718
4,7-dibromo-1-benzothiophene-5-thiol
CID 130926470
4-chloro-5-nitro-1-benzothiophene-7-thiol
CID 130955754

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-chloro-1-benzothiophene-4-thiol?
The IUPAC name of 6-amino-7-chloro-1-benzothiophene-4-thiol (CID 130803456) is 6-amino-7-chloro-1-benzothiophene-4-thiol.
What is the SMILES notation for 6-amino-7-chloro-1-benzothiophene-4-thiol?
The canonical SMILES for 6-amino-7-chloro-1-benzothiophene-4-thiol is Nc1cc(S)c2ccsc2c1Cl.
What is the InChIKey of 6-amino-7-chloro-1-benzothiophene-4-thiol?
The InChIKey is OBFMRVCAGGFDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNS2/c9-7-5(10)3-6(11)4-1-2-12-8(4)7/h1-3,11H,10H2.
What are the key properties of 6-amino-7-chloro-1-benzothiophene-4-thiol?
6-amino-7-chloro-1-benzothiophene-4-thiol has a molecular weight of 215.73 g/mol, XLogP of 3.43, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-chloro-1-benzothiophene-4-thiol is sourced from PubChem (CID 130803456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).