3-(2,2-dibromoethenyl)-1-benzothiophene

C10H6Br2S — CID 130532128

IUPAC3-(2,2-dibromoethenyl)-1-benzothiophene
SMILESBrC(Br)=Cc1csc2ccccc12
InChIInChI=1S/C10H6Br2S/c11-10(12)5-7-6-13-9-4-2-1-3-8(7)9/h1-6H
InChIKeySLLBWMZVOBDEGR-UHFFFAOYSA-N
MW318.03 g/mol
LogP4.99
Rot. Bonds1

About 3-(2,2-dibromoethenyl)-1-benzothiophene

3-(2,2-dibromoethenyl)-1-benzothiophene (PubChem CID 130532128) has the molecular formula C10H6Br2S and a molecular weight of 318.03 g/mol. Its IUPAC name is 3-(2,2-dibromoethenyl)-1-benzothiophene.

Molecular Properties

Compound Name3-(2,2-dibromoethenyl)-1-benzothiophene
PubChem CID130532128
Molecular FormulaC10H6Br2S
Molecular Weight318.03 g/mol
Exact Mass315.86
IUPAC Name3-(2,2-dibromoethenyl)-1-benzothiophene
SMILESBrC(Br)=Cc1csc2ccccc12
InChIInChI=1S/C10H6Br2S/c11-10(12)5-7-6-13-9-4-2-1-3-8(7)9/h1-6H
InChIKeySLLBWMZVOBDEGR-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.03
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(2,2-dibromoethenyl)-1-benzothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dibromoethenyl)-1-benzothiophene?
The IUPAC name of 3-(2,2-dibromoethenyl)-1-benzothiophene (CID 130532128) is 3-(2,2-dibromoethenyl)-1-benzothiophene.
What is the SMILES notation for 3-(2,2-dibromoethenyl)-1-benzothiophene?
The canonical SMILES for 3-(2,2-dibromoethenyl)-1-benzothiophene is BrC(Br)=Cc1csc2ccccc12.
What is the InChIKey of 3-(2,2-dibromoethenyl)-1-benzothiophene?
The InChIKey is SLLBWMZVOBDEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2S/c11-10(12)5-7-6-13-9-4-2-1-3-8(7)9/h1-6H.
What are the key properties of 3-(2,2-dibromoethenyl)-1-benzothiophene?
3-(2,2-dibromoethenyl)-1-benzothiophene has a molecular weight of 318.03 g/mol, XLogP of 4.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dibromoethenyl)-1-benzothiophene is sourced from PubChem (CID 130532128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).