2-(bromomethyl)-4-chloro-1-benzothiophen-6-amine

C9H7BrClNS — CID 130898343

IUPAC2-(bromomethyl)-4-chloro-1-benzothiophen-6-amine
SMILESNc1cc(Cl)c2cc(CBr)sc2c1
InChIInChI=1S/C9H7BrClNS/c10-4-6-3-7-8(11)1-5(12)2-9(7)13-6/h1-3H,4,12H2
InChIKeyJEZHIYHTKWBSMU-UHFFFAOYSA-N
MW276.59 g/mol
LogP4.03
Rot. Bonds1

About 2-(bromomethyl)-4-chloro-1-benzothiophen-6-amine

2-(bromomethyl)-4-chloro-1-benzothiophen-6-amine (PubChem CID 130898343) has the molecular formula C9H7BrClNS and a molecular weight of 276.59 g/mol. Its IUPAC name is 2-(bromomethyl)-4-chloro-1-benzothiophen-6-amine.

Molecular Properties

Compound Name2-(bromomethyl)-4-chloro-1-benzothiophen-6-amine
PubChem CID130898343
Molecular FormulaC9H7BrClNS
Molecular Weight276.59 g/mol
Exact Mass274.92
IUPAC Name2-(bromomethyl)-4-chloro-1-benzothiophen-6-amine
SMILESNc1cc(Cl)c2cc(CBr)sc2c1
InChIInChI=1S/C9H7BrClNS/c10-4-6-3-7-8(11)1-5(12)2-9(7)13-6/h1-3H,4,12H2
InChIKeyJEZHIYHTKWBSMU-UHFFFAOYSA-N
XLogP4.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.59
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-5-chloro-1-benzothiophen-6-ol
CID 130806016
2-(bromomethyl)-6-fluoro-1-benzothiophen-4-ol
CID 130971703
(4-chloro-6-sulfanyl-1-benzothiophen-2-yl)methanol
CID 130792451
4-(bromomethyl)-3-chloro-1-benzothiophen-6-amine
CID 130878499
2-(bromomethyl)-6-hydroxy-1-benzothiophene-4-carbaldehyde
CID 131029459
2-(bromomethyl)-1-benzothiophene-3,6-diamine
CID 131030880
(6-amino-4-methylsulfanyl-1-benzothiophen-2-yl)methanol
CID 130870472
2-(bromomethyl)-4-chloro-1-benzothiophene-7-carbaldehyde
CID 130805704
5-amino-2-(bromomethyl)-1-benzothiophene-6-thiol
CID 130805471
3-bromo-4,5-dichloroaniline
CID 91681180
2-(bromomethyl)-7-methyl-1-benzothiophen-4-amine
CID 131075929
O-[(4-chloro-1-benzothiophen-2-yl)methyl]hydroxylamine
CID 117194425

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-chloro-1-benzothiophen-6-amine?
The IUPAC name of 2-(bromomethyl)-4-chloro-1-benzothiophen-6-amine (CID 130898343) is 2-(bromomethyl)-4-chloro-1-benzothiophen-6-amine.
What is the SMILES notation for 2-(bromomethyl)-4-chloro-1-benzothiophen-6-amine?
The canonical SMILES for 2-(bromomethyl)-4-chloro-1-benzothiophen-6-amine is Nc1cc(Cl)c2cc(CBr)sc2c1.
What is the InChIKey of 2-(bromomethyl)-4-chloro-1-benzothiophen-6-amine?
The InChIKey is JEZHIYHTKWBSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClNS/c10-4-6-3-7-8(11)1-5(12)2-9(7)13-6/h1-3H,4,12H2.
What are the key properties of 2-(bromomethyl)-4-chloro-1-benzothiophen-6-amine?
2-(bromomethyl)-4-chloro-1-benzothiophen-6-amine has a molecular weight of 276.59 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-chloro-1-benzothiophen-6-amine is sourced from PubChem (CID 130898343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).