4-amino-6-chloro-1-benzothiophene-2-thiol

C8H6ClNS2 — CID 130803306

IUPAC4-amino-6-chloro-1-benzothiophene-2-thiol
SMILESNc1cc(Cl)cc2sc(S)cc12
InChIInChI=1S/C8H6ClNS2/c9-4-1-6(10)5-3-8(11)12-7(5)2-4/h1-3,11H,10H2
InChIKeyLFIPAOUGZPJDMA-UHFFFAOYSA-N
MW215.73 g/mol
LogP3.43
Rot. Bonds

About 4-amino-6-chloro-1-benzothiophene-2-thiol

4-amino-6-chloro-1-benzothiophene-2-thiol (PubChem CID 130803306) has the molecular formula C8H6ClNS2 and a molecular weight of 215.73 g/mol. Its IUPAC name is 4-amino-6-chloro-1-benzothiophene-2-thiol.

Molecular Properties

Compound Name4-amino-6-chloro-1-benzothiophene-2-thiol
PubChem CID130803306
Molecular FormulaC8H6ClNS2
Molecular Weight215.73 g/mol
Exact Mass214.96
IUPAC Name4-amino-6-chloro-1-benzothiophene-2-thiol
SMILESNc1cc(Cl)cc2sc(S)cc12
InChIInChI=1S/C8H6ClNS2/c9-4-1-6(10)5-3-8(11)12-7(5)2-4/h1-3,11H,10H2
InChIKeyLFIPAOUGZPJDMA-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

4-amino-2-sulfanyl-1-benzothiophene-6-carbaldehyde
CID 131218721
7-chloro-2-sulfanylthiochromen-4-one
CID 11172237
5-amino-4-fluoro-1-benzothiophene-2-thiol
CID 130855029
thieno[3,2-b]thiophene-2,5-dithiol
CID 609297
3-aminothieno[2,3-c][1,2]thiazole-5-thiol
CID 144642949
5-iodothieno[3,2-b]thiophene-2-thiol
CID 135211082
4-amino-7-iodo-1-benzothiophene-2-thiol
CID 130951779
3,5-dichloro-2-methoxyaniline
CID 11217747
7-chlorodibenzothiophen-2-amine
CID 21439881
2,7-dichloro-[1]benzothiolo[3,2-b][1]benzothiole
CID 12549782
2-amino-5-chlorobenzenethiol;hydrochloride
CID 70156198
6-chloro-4-fluoro-1-benzothiophene-2-carboxylic acid
CID 130866263

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-chloro-1-benzothiophene-2-thiol?
The IUPAC name of 4-amino-6-chloro-1-benzothiophene-2-thiol (CID 130803306) is 4-amino-6-chloro-1-benzothiophene-2-thiol.
What is the SMILES notation for 4-amino-6-chloro-1-benzothiophene-2-thiol?
The canonical SMILES for 4-amino-6-chloro-1-benzothiophene-2-thiol is Nc1cc(Cl)cc2sc(S)cc12.
What is the InChIKey of 4-amino-6-chloro-1-benzothiophene-2-thiol?
The InChIKey is LFIPAOUGZPJDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNS2/c9-4-1-6(10)5-3-8(11)12-7(5)2-4/h1-3,11H,10H2.
What are the key properties of 4-amino-6-chloro-1-benzothiophene-2-thiol?
4-amino-6-chloro-1-benzothiophene-2-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 4-amino-6-chloro-1-benzothiophene-2-thiol is sourced from PubChem (CID 130803306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).