5-(bromomethyl)-6-methyl-1-benzothiophen-3-amine

C10H10BrNS — CID 130883990

IUPAC5-(bromomethyl)-6-methyl-1-benzothiophen-3-amine
SMILESCc1cc2scc(N)c2cc1CBr
InChIInChI=1S/C10H10BrNS/c1-6-2-10-8(3-7(6)4-11)9(12)5-13-10/h2-3,5H,4,12H2,1H3
InChIKeyGVFCFTWNBDCTBZ-UHFFFAOYSA-N
MW256.17 g/mol
LogP3.69
Rot. Bonds1

About 5-(bromomethyl)-6-methyl-1-benzothiophen-3-amine

5-(bromomethyl)-6-methyl-1-benzothiophen-3-amine (PubChem CID 130883990) has the molecular formula C10H10BrNS and a molecular weight of 256.17 g/mol. Its IUPAC name is 5-(bromomethyl)-6-methyl-1-benzothiophen-3-amine.

Molecular Properties

Compound Name5-(bromomethyl)-6-methyl-1-benzothiophen-3-amine
PubChem CID130883990
Molecular FormulaC10H10BrNS
Molecular Weight256.17 g/mol
Exact Mass254.97
IUPAC Name5-(bromomethyl)-6-methyl-1-benzothiophen-3-amine
SMILESCc1cc2scc(N)c2cc1CBr
InChIInChI=1S/C10H10BrNS/c1-6-2-10-8(3-7(6)4-11)9(12)5-13-10/h2-3,5H,4,12H2,1H3
InChIKeyGVFCFTWNBDCTBZ-UHFFFAOYSA-N
XLogP3.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.17
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-iodo-5-methyl-1-benzothiophen-3-amine
CID 130788969
6-chloro-5-methyl-1-benzothiophen-3-amine
CID 131001222
6-bromo-5-(bromomethyl)-3-iodo-1-benzothiophene
CID 130786017
5-amino-3-(bromomethyl)-1-benzothiophene-6-carbonitrile
CID 130961310
5-(bromomethyl)-1-benzothiophene-3,6-diol
CID 131191603
6-(bromomethyl)-5-ethyl-1-benzothiophene-3-thiol
CID 131033947
5-(bromomethyl)-3-chloro-6-ethyl-1-benzothiophene
CID 130840069
(3-bromo-5-methyl-1-benzothiophen-6-yl)methanol
CID 130870514
5-(bromomethyl)-3-fluoro-6-iodo-1-benzothiophene
CID 130941891
3-(bromomethyl)-5,6-difluoro-1-benzothiophene
CID 130855657
3-amino-7-(bromomethyl)-1-benzothiophene-5-carbaldehyde
CID 131098333
5-(chloromethyl)-6-methyl-1-benzothiophene-3-carbonitrile
CID 130870541

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-6-methyl-1-benzothiophen-3-amine?
The IUPAC name of 5-(bromomethyl)-6-methyl-1-benzothiophen-3-amine (CID 130883990) is 5-(bromomethyl)-6-methyl-1-benzothiophen-3-amine.
What is the SMILES notation for 5-(bromomethyl)-6-methyl-1-benzothiophen-3-amine?
The canonical SMILES for 5-(bromomethyl)-6-methyl-1-benzothiophen-3-amine is Cc1cc2scc(N)c2cc1CBr.
What is the InChIKey of 5-(bromomethyl)-6-methyl-1-benzothiophen-3-amine?
The InChIKey is GVFCFTWNBDCTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNS/c1-6-2-10-8(3-7(6)4-11)9(12)5-13-10/h2-3,5H,4,12H2,1H3.
What are the key properties of 5-(bromomethyl)-6-methyl-1-benzothiophen-3-amine?
5-(bromomethyl)-6-methyl-1-benzothiophen-3-amine has a molecular weight of 256.17 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-6-methyl-1-benzothiophen-3-amine is sourced from PubChem (CID 130883990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).