4-bromo-5-chloro-1-benzothiophen-6-amine

C8H5BrClNS — CID 130925603

IUPAC4-bromo-5-chloro-1-benzothiophen-6-amine
SMILESNc1cc2sccc2c(Br)c1Cl
InChIInChI=1S/C8H5BrClNS/c9-7-4-1-2-12-6(4)3-5(11)8(7)10/h1-3H,11H2
InChIKeyATXQGIGKPNNTSL-UHFFFAOYSA-N
MW262.56 g/mol
LogP3.90
Rot. Bonds

About 4-bromo-5-chloro-1-benzothiophen-6-amine

4-bromo-5-chloro-1-benzothiophen-6-amine (PubChem CID 130925603) has the molecular formula C8H5BrClNS and a molecular weight of 262.56 g/mol. Its IUPAC name is 4-bromo-5-chloro-1-benzothiophen-6-amine.

Molecular Properties

Compound Name4-bromo-5-chloro-1-benzothiophen-6-amine
PubChem CID130925603
Molecular FormulaC8H5BrClNS
Molecular Weight262.56 g/mol
Exact Mass260.90
IUPAC Name4-bromo-5-chloro-1-benzothiophen-6-amine
SMILESNc1cc2sccc2c(Br)c1Cl
InChIInChI=1S/C8H5BrClNS/c9-7-4-1-2-12-6(4)3-5(11)8(7)10/h1-3H,11H2
InChIKeyATXQGIGKPNNTSL-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

7-bromo-4-chloro-1-benzothiophen-5-amine
CID 130961119
(6-amino-5-bromo-1-benzothiophen-4-yl)methanol
CID 130805448
5-bromo-4-chloro-6-methyl-1-benzothiophene
CID 130955248
5-amino-4-bromo-1-benzothiophen-6-ol
CID 130941897
6-amino-4-chloro-1-benzothiophene-5-carbonitrile
CID 130792174
4-bromo-6-chloro-1-benzothiophene-5-carbonitrile
CID 130885303
6-amino-1-benzothiophene-4,5-diol
CID 84657940
4,5,6-trichloro-1-benzothiophene
CID 91440805
4,6-dibromo-1-benzothiophen-5-ol
CID 59580169
5-bromo-6-chloro-4-ethyl-1-benzothiophene
CID 130885317
6-amino-7-chloro-1-benzothiophene-4-thiol
CID 130803456
5-fluoro-4-methylsulfanyl-1-benzothiophen-6-amine
CID 130855379

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chloro-1-benzothiophen-6-amine?
The IUPAC name of 4-bromo-5-chloro-1-benzothiophen-6-amine (CID 130925603) is 4-bromo-5-chloro-1-benzothiophen-6-amine.
What is the SMILES notation for 4-bromo-5-chloro-1-benzothiophen-6-amine?
The canonical SMILES for 4-bromo-5-chloro-1-benzothiophen-6-amine is Nc1cc2sccc2c(Br)c1Cl.
What is the InChIKey of 4-bromo-5-chloro-1-benzothiophen-6-amine?
The InChIKey is ATXQGIGKPNNTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClNS/c9-7-4-1-2-12-6(4)3-5(11)8(7)10/h1-3H,11H2.
What are the key properties of 4-bromo-5-chloro-1-benzothiophen-6-amine?
4-bromo-5-chloro-1-benzothiophen-6-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 4-bromo-5-chloro-1-benzothiophen-6-amine is sourced from PubChem (CID 130925603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).