7-(bromomethyl)-3-methyl-1-benzothiophene

C10H9BrS — CID 14780499

IUPAC7-(bromomethyl)-3-methyl-1-benzothiophene
SMILESCc1csc2c(CBr)cccc12
InChIInChI=1S/C10H9BrS/c1-7-6-12-10-8(5-11)3-2-4-9(7)10/h2-4,6H,5H2,1H3
InChIKeyFNRRWDUJLFCBAS-UHFFFAOYSA-N
MW241.15 g/mol
LogP4.10
Rot. Bonds1

About 7-(bromomethyl)-3-methyl-1-benzothiophene

7-(bromomethyl)-3-methyl-1-benzothiophene (PubChem CID 14780499) has the molecular formula C10H9BrS and a molecular weight of 241.15 g/mol. Its IUPAC name is 7-(bromomethyl)-3-methyl-1-benzothiophene.

Molecular Properties

Compound Name7-(bromomethyl)-3-methyl-1-benzothiophene
PubChem CID14780499
Molecular FormulaC10H9BrS
Molecular Weight241.15 g/mol
Exact Mass239.96
IUPAC Name7-(bromomethyl)-3-methyl-1-benzothiophene
SMILESCc1csc2c(CBr)cccc12
InChIInChI=1S/C10H9BrS/c1-7-6-12-10-8(5-11)3-2-4-9(7)10/h2-4,6H,5H2,1H3
InChIKeyFNRRWDUJLFCBAS-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.15
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(bromomethyl)-3-methyl-1-benzothiophene?
The IUPAC name of 7-(bromomethyl)-3-methyl-1-benzothiophene (CID 14780499) is 7-(bromomethyl)-3-methyl-1-benzothiophene.
What is the SMILES notation for 7-(bromomethyl)-3-methyl-1-benzothiophene?
The canonical SMILES for 7-(bromomethyl)-3-methyl-1-benzothiophene is Cc1csc2c(CBr)cccc12.
What is the InChIKey of 7-(bromomethyl)-3-methyl-1-benzothiophene?
The InChIKey is FNRRWDUJLFCBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrS/c1-7-6-12-10-8(5-11)3-2-4-9(7)10/h2-4,6H,5H2,1H3.
What are the key properties of 7-(bromomethyl)-3-methyl-1-benzothiophene?
7-(bromomethyl)-3-methyl-1-benzothiophene has a molecular weight of 241.15 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(bromomethyl)-3-methyl-1-benzothiophene is sourced from PubChem (CID 14780499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).