4-bromo-3-methyl-1-benzothiophen-6-amine

C9H8BrNS — CID 130961025

IUPAC4-bromo-3-methyl-1-benzothiophen-6-amine
SMILESCc1csc2cc(N)cc(Br)c12
InChIInChI=1S/C9H8BrNS/c1-5-4-12-8-3-6(11)2-7(10)9(5)8/h2-4H,11H2,1H3
InChIKeyUIDFTKINGBTEKI-UHFFFAOYSA-N
MW242.14 g/mol
LogP3.55
Rot. Bonds

About 4-bromo-3-methyl-1-benzothiophen-6-amine

4-bromo-3-methyl-1-benzothiophen-6-amine (PubChem CID 130961025) has the molecular formula C9H8BrNS and a molecular weight of 242.14 g/mol. Its IUPAC name is 4-bromo-3-methyl-1-benzothiophen-6-amine.

Molecular Properties

Compound Name4-bromo-3-methyl-1-benzothiophen-6-amine
PubChem CID130961025
Molecular FormulaC9H8BrNS
Molecular Weight242.14 g/mol
Exact Mass240.96
IUPAC Name4-bromo-3-methyl-1-benzothiophen-6-amine
SMILESCc1csc2cc(N)cc(Br)c12
InChIInChI=1S/C9H8BrNS/c1-5-4-12-8-3-6(11)2-7(10)9(5)8/h2-4H,11H2,1H3
InChIKeyUIDFTKINGBTEKI-UHFFFAOYSA-N
XLogP3.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.14
LogP ≤ 53.55
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

(4-bromo-3-methyl-1-benzothiophen-6-yl)methanol
CID 130839310
6-amino-4-methyl-1-benzothiophen-3-ol
CID 130878558
3-iodo-4-methyl-1-benzothiophen-6-amine
CID 130816506
4-bromo-3-methylthieno[2,3-c]pyridine
CID 170773939
4-bromo-3-methyl-1-benzothiophen-5-amine
CID 130909893
1-benzothiophene-3,4,6-triamine
CID 130971655
3,4,6-trimethyl-1-benzothiophene
CID 20824554
4-bromo-3-chloro-6-methyl-1-benzothiophene
CID 91756717
4,6-diiodo-3-methyl-1-benzothiophene
CID 131218326
4-bromo-3-ethoxy-6-methyl-1-benzothiophene
CID 131138210
4-bromo-3-(bromomethyl)-6-methyl-1-benzothiophene
CID 130865317
3-bromo-4-methylthiophen-2-amine
CID 98753251

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-1-benzothiophen-6-amine?
The IUPAC name of 4-bromo-3-methyl-1-benzothiophen-6-amine (CID 130961025) is 4-bromo-3-methyl-1-benzothiophen-6-amine.
What is the SMILES notation for 4-bromo-3-methyl-1-benzothiophen-6-amine?
The canonical SMILES for 4-bromo-3-methyl-1-benzothiophen-6-amine is Cc1csc2cc(N)cc(Br)c12.
What is the InChIKey of 4-bromo-3-methyl-1-benzothiophen-6-amine?
The InChIKey is UIDFTKINGBTEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNS/c1-5-4-12-8-3-6(11)2-7(10)9(5)8/h2-4H,11H2,1H3.
What are the key properties of 4-bromo-3-methyl-1-benzothiophen-6-amine?
4-bromo-3-methyl-1-benzothiophen-6-amine has a molecular weight of 242.14 g/mol, XLogP of 3.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-1-benzothiophen-6-amine is sourced from PubChem (CID 130961025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).