4-chloro-7-methoxy-1-benzothiophen-5-amine

C9H8ClNOS — CID 131060040

IUPAC4-chloro-7-methoxy-1-benzothiophen-5-amine
SMILESCOc1cc(N)c(Cl)c2ccsc12
InChIInChI=1S/C9H8ClNOS/c1-12-7-4-6(11)8(10)5-2-3-13-9(5)7/h2-4H,11H2,1H3
InChIKeyAFDWGXOBODXQGT-UHFFFAOYSA-N
MW213.69 g/mol
LogP3.15
Rot. Bonds1

About 4-chloro-7-methoxy-1-benzothiophen-5-amine

4-chloro-7-methoxy-1-benzothiophen-5-amine (PubChem CID 131060040) has the molecular formula C9H8ClNOS and a molecular weight of 213.69 g/mol. Its IUPAC name is 4-chloro-7-methoxy-1-benzothiophen-5-amine.

Molecular Properties

Compound Name4-chloro-7-methoxy-1-benzothiophen-5-amine
PubChem CID131060040
Molecular FormulaC9H8ClNOS
Molecular Weight213.69 g/mol
Exact Mass213.00
IUPAC Name4-chloro-7-methoxy-1-benzothiophen-5-amine
SMILESCOc1cc(N)c(Cl)c2ccsc12
InChIInChI=1S/C9H8ClNOS/c1-12-7-4-6(11)8(10)5-2-3-13-9(5)7/h2-4H,11H2,1H3
InChIKeyAFDWGXOBODXQGT-UHFFFAOYSA-N
XLogP3.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.69
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-7-methoxy-1-benzothiophen-5-amine
CID 130788772
7-bromo-4-chloro-1-benzothiophen-5-amine
CID 130961119
5-chloro-4-methoxy-1-benzothiophen-7-amine
CID 130823667
6-amino-7-chloro-1-benzothiophene-4-thiol
CID 130803456
4,7-dimethoxy-1-benzothiophene
CID 11095506
7-chloro-6-fluoro-4-methoxy-1-benzothiophene
CID 130884092
4,5-dibromo-7-methoxy-1-benzothiophene
CID 130926286
5-bromo-4,7-dimethoxy-1-benzothiophene
CID 130914431
4-chloro-5-(difluoromethyl)-1-benzothiophen-7-amine
CID 130926303
7-ethyl-4-methoxy-1-benzothiophen-5-amine
CID 130788703
4-chloro-7-ethoxy-5-methyl-1-benzothiophene
CID 130941817
4-iodo-7-methoxy-1-benzothiophen-6-amine
CID 130788859

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-methoxy-1-benzothiophen-5-amine?
The IUPAC name of 4-chloro-7-methoxy-1-benzothiophen-5-amine (CID 131060040) is 4-chloro-7-methoxy-1-benzothiophen-5-amine.
What is the SMILES notation for 4-chloro-7-methoxy-1-benzothiophen-5-amine?
The canonical SMILES for 4-chloro-7-methoxy-1-benzothiophen-5-amine is COc1cc(N)c(Cl)c2ccsc12.
What is the InChIKey of 4-chloro-7-methoxy-1-benzothiophen-5-amine?
The InChIKey is AFDWGXOBODXQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNOS/c1-12-7-4-6(11)8(10)5-2-3-13-9(5)7/h2-4H,11H2,1H3.
What are the key properties of 4-chloro-7-methoxy-1-benzothiophen-5-amine?
4-chloro-7-methoxy-1-benzothiophen-5-amine has a molecular weight of 213.69 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-methoxy-1-benzothiophen-5-amine is sourced from PubChem (CID 131060040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).