4-bromo-3-methyl-1-benzothiophen-5-amine

C9H8BrNS — CID 130909893

IUPAC4-bromo-3-methyl-1-benzothiophen-5-amine
SMILESCc1csc2ccc(N)c(Br)c12
InChIInChI=1S/C9H8BrNS/c1-5-4-12-7-3-2-6(11)9(10)8(5)7/h2-4H,11H2,1H3
InChIKeySMTXXJIXJJRVGA-UHFFFAOYSA-N
MW242.14 g/mol
LogP3.55
Rot. Bonds

About 4-bromo-3-methyl-1-benzothiophen-5-amine

4-bromo-3-methyl-1-benzothiophen-5-amine (PubChem CID 130909893) has the molecular formula C9H8BrNS and a molecular weight of 242.14 g/mol. Its IUPAC name is 4-bromo-3-methyl-1-benzothiophen-5-amine.

Molecular Properties

Compound Name4-bromo-3-methyl-1-benzothiophen-5-amine
PubChem CID130909893
Molecular FormulaC9H8BrNS
Molecular Weight242.14 g/mol
Exact Mass240.96
IUPAC Name4-bromo-3-methyl-1-benzothiophen-5-amine
SMILESCc1csc2ccc(N)c(Br)c12
InChIInChI=1S/C9H8BrNS/c1-5-4-12-7-3-2-6(11)9(10)8(5)7/h2-4H,11H2,1H3
InChIKeySMTXXJIXJJRVGA-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-5-ol
CID 131096785
5-amino-3-methyl-1-benzothiophene-4-carbonitrile
CID 130961168
3-bromo-4,5-dimethyl-1-benzothiophene
CID 82387657
3,5-dimethyl-1-benzothiophen-4-ol
CID 91882001
3-fluoro-4-methyl-1-benzothiophen-5-amine
CID 131075761
4-bromo-3-methyl-1-benzothiophen-6-amine
CID 130961025
3-bromo-4-methylthiophen-2-amine
CID 98753251
ethane;4-fluoro-3-methyl-1-benzothiophene
CID 176569094
4-(difluoromethyl)-5-fluoro-3-methyl-1-benzothiophene
CID 130870686
3-ethyl-4-fluoro-1-benzothiophen-5-amine
CID 130956296
4-bromo-3-methylthieno[2,3-c]pyridine
CID 170773939
3-methylthieno[3,2-b]pyridin-5-amine
CID 131162328

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-1-benzothiophen-5-amine?
The IUPAC name of 4-bromo-3-methyl-1-benzothiophen-5-amine (CID 130909893) is 4-bromo-3-methyl-1-benzothiophen-5-amine.
What is the SMILES notation for 4-bromo-3-methyl-1-benzothiophen-5-amine?
The canonical SMILES for 4-bromo-3-methyl-1-benzothiophen-5-amine is Cc1csc2ccc(N)c(Br)c12.
What is the InChIKey of 4-bromo-3-methyl-1-benzothiophen-5-amine?
The InChIKey is SMTXXJIXJJRVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNS/c1-5-4-12-7-3-2-6(11)9(10)8(5)7/h2-4H,11H2,1H3.
What are the key properties of 4-bromo-3-methyl-1-benzothiophen-5-amine?
4-bromo-3-methyl-1-benzothiophen-5-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-5-amine is sourced from PubChem (CID 130909893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).