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

C8H5BrClNS — CID 130961119

IUPAC7-bromo-4-chloro-1-benzothiophen-5-amine
SMILESNc1cc(Br)c2sccc2c1Cl
InChIInChI=1S/C8H5BrClNS/c9-5-3-6(11)7(10)4-1-2-12-8(4)5/h1-3H,11H2
InChIKeyCJGGHNDFGOARRA-UHFFFAOYSA-N
MW262.56 g/mol
LogP3.90
Rot. Bonds

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

7-bromo-4-chloro-1-benzothiophen-5-amine (PubChem CID 130961119) has the molecular formula C8H5BrClNS and a molecular weight of 262.56 g/mol. Its IUPAC name is 7-bromo-4-chloro-1-benzothiophen-5-amine.

Molecular Properties

Compound Name7-bromo-4-chloro-1-benzothiophen-5-amine
PubChem CID130961119
Molecular FormulaC8H5BrClNS
Molecular Weight262.56 g/mol
Exact Mass260.90
IUPAC Name7-bromo-4-chloro-1-benzothiophen-5-amine
SMILESNc1cc(Br)c2sccc2c1Cl
InChIInChI=1S/C8H5BrClNS/c9-5-3-6(11)7(10)4-1-2-12-8(4)5/h1-3H,11H2
InChIKeyCJGGHNDFGOARRA-UHFFFAOYSA-N
XLogP3.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.56
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-7-chloro-1-benzothiophene-4-thiol
CID 130803456
4-chloro-7-methoxy-1-benzothiophen-5-amine
CID 131060040
7-bromo-5-chloro-4-methyl-1-benzothiophene
CID 130969844
4-bromo-5-chloro-1-benzothiophen-6-amine
CID 130925603
5-bromo-6,7-dichloro-1-benzothiophene
CID 70337047
4-chloro-5-(difluoromethyl)-1-benzothiophen-7-amine
CID 130926303
4-chloro-1-benzothiophene-6,7-diamine
CID 131191037
4,7-dibromo-1-benzothiophene-5-thiol
CID 130926470
4,6-dichloro-1-benzothiophen-7-amine
CID 131198058
4,7-dibromo-1-benzothiophene-5-carbaldehyde
CID 130914405
4,5-dichloro-7-fluoro-1-benzothiophene
CID 131053718
7-amino-6-bromo-1-benzothiophene-4-carbonitrile
CID 130803419

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-chloro-1-benzothiophen-5-amine?
The IUPAC name of 7-bromo-4-chloro-1-benzothiophen-5-amine (CID 130961119) is 7-bromo-4-chloro-1-benzothiophen-5-amine.
What is the SMILES notation for 7-bromo-4-chloro-1-benzothiophen-5-amine?
The canonical SMILES for 7-bromo-4-chloro-1-benzothiophen-5-amine is Nc1cc(Br)c2sccc2c1Cl.
What is the InChIKey of 7-bromo-4-chloro-1-benzothiophen-5-amine?
The InChIKey is CJGGHNDFGOARRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClNS/c9-5-3-6(11)7(10)4-1-2-12-8(4)5/h1-3H,11H2.
What are the key properties of 7-bromo-4-chloro-1-benzothiophen-5-amine?
7-bromo-4-chloro-1-benzothiophen-5-amine has a molecular weight of 262.56 g/mol, XLogP of 3.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-chloro-1-benzothiophen-5-amine is sourced from PubChem (CID 130961119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).