7-(bromomethyl)-1-benzothiophene

C9H7BrS — CID 10751761

IUPAC7-(bromomethyl)-1-benzothiophene
SMILESBrCc1cccc2ccsc12
InChIInChI=1S/C9H7BrS/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-5H,6H2
InChIKeyCBWUJYGWPDPIFY-UHFFFAOYSA-N
MW227.13 g/mol
LogP3.80
Rot. Bonds1

About 7-(bromomethyl)-1-benzothiophene

7-(bromomethyl)-1-benzothiophene (PubChem CID 10751761) has the molecular formula C9H7BrS and a molecular weight of 227.13 g/mol. Its IUPAC name is 7-(bromomethyl)-1-benzothiophene.

Molecular Properties

Compound Name7-(bromomethyl)-1-benzothiophene
PubChem CID10751761
Molecular FormulaC9H7BrS
Molecular Weight227.13 g/mol
Exact Mass225.95
IUPAC Name7-(bromomethyl)-1-benzothiophene
SMILESBrCc1cccc2ccsc12
InChIInChI=1S/C9H7BrS/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-5H,6H2
InChIKeyCBWUJYGWPDPIFY-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.13
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-(3-chloropropyl)-1-benzothiophene
CID 81146584
4-(1-benzothiophen-7-yl)-N-methylbutan-2-amine
CID 81147000
N-(1-benzothiophen-7-ylmethyl)-1-phenylmethanamine
CID 131228188
7-(4-bromopentan-2-yl)-1-benzothiophene
CID 81148326
ethane;7-methyl-1-benzothiophene
CID 143012583
7-(3-chloropentyl)-1-benzothiophene
CID 81147007
3-(1-benzothiophen-7-yl)-2-chloropropanamide
CID 130770729
1-(1-benzothiophen-7-yl)pentan-3-ol
CID 81147774
7-[(E)-4-bromobut-1-enyl]-1-benzothiophene
CID 81148224
1-(1-benzothiophen-7-yl)-N-methylpentan-3-amine
CID 81148451
2-(1-benzothiophen-7-yl)acetamide;2-(1-benzothiophen-7-yl)acetonitrile
CID 162236647
1-(1-benzothiophen-7-yl)-2-(2-bromophenyl)ethanamine
CID 81153697

Frequently Asked Questions

What is the IUPAC name of 7-(bromomethyl)-1-benzothiophene?
The IUPAC name of 7-(bromomethyl)-1-benzothiophene (CID 10751761) is 7-(bromomethyl)-1-benzothiophene.
What is the SMILES notation for 7-(bromomethyl)-1-benzothiophene?
The canonical SMILES for 7-(bromomethyl)-1-benzothiophene is BrCc1cccc2ccsc12.
What is the InChIKey of 7-(bromomethyl)-1-benzothiophene?
The InChIKey is CBWUJYGWPDPIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrS/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-5H,6H2.
What are the key properties of 7-(bromomethyl)-1-benzothiophene?
7-(bromomethyl)-1-benzothiophene has a molecular weight of 227.13 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(bromomethyl)-1-benzothiophene is sourced from PubChem (CID 10751761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).