3-bromo-2,5-dimethyl-4-[(E)-pent-2-en-3-yl]thiophene

C11H15BrS — CID 58667177

IUPAC3-bromo-2,5-dimethyl-4-[(E)-pent-2-en-3-yl]thiophene
SMILESC/C=C(\CC)c1c(C)sc(C)c1Br
InChIInChI=1S/C11H15BrS/c1-5-9(6-2)10-7(3)13-8(4)11(10)12/h5H,6H2,1-4H3/b9-5+
InChIKeyYIOQMDITAPYQOC-WEVVVXLNSA-N
MW259.21 g/mol
LogP4.94
Rot. Bonds2

About 3-bromo-2,5-dimethyl-4-[(E)-pent-2-en-3-yl]thiophene

3-bromo-2,5-dimethyl-4-[(E)-pent-2-en-3-yl]thiophene (PubChem CID 58667177) has the molecular formula C11H15BrS and a molecular weight of 259.21 g/mol. Its IUPAC name is 3-bromo-2,5-dimethyl-4-[(E)-pent-2-en-3-yl]thiophene.

Molecular Properties

Compound Name3-bromo-2,5-dimethyl-4-[(E)-pent-2-en-3-yl]thiophene
PubChem CID58667177
Molecular FormulaC11H15BrS
Molecular Weight259.21 g/mol
Exact Mass258.01
IUPAC Name3-bromo-2,5-dimethyl-4-[(E)-pent-2-en-3-yl]thiophene
SMILESC/C=C(\CC)c1c(C)sc(C)c1Br
InChIInChI=1S/C11H15BrS/c1-5-9(6-2)10-7(3)13-8(4)11(10)12/h5H,6H2,1-4H3/b9-5+
InChIKeyYIOQMDITAPYQOC-WEVVVXLNSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-bromo-2,5-dimethyl-4-[(E)-pent-2-en-3-yl]thiophene 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-bromo-2,5-dimethyl-4-[(E)-pent-2-en-3-yl]thiophene?
The IUPAC name of 3-bromo-2,5-dimethyl-4-[(E)-pent-2-en-3-yl]thiophene (CID 58667177) is 3-bromo-2,5-dimethyl-4-[(E)-pent-2-en-3-yl]thiophene.
What is the SMILES notation for 3-bromo-2,5-dimethyl-4-[(E)-pent-2-en-3-yl]thiophene?
The canonical SMILES for 3-bromo-2,5-dimethyl-4-[(E)-pent-2-en-3-yl]thiophene is C/C=C(\CC)c1c(C)sc(C)c1Br.
What is the InChIKey of 3-bromo-2,5-dimethyl-4-[(E)-pent-2-en-3-yl]thiophene?
The InChIKey is YIOQMDITAPYQOC-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H15BrS/c1-5-9(6-2)10-7(3)13-8(4)11(10)12/h5H,6H2,1-4H3/b9-5+.
What are the key properties of 3-bromo-2,5-dimethyl-4-[(E)-pent-2-en-3-yl]thiophene?
3-bromo-2,5-dimethyl-4-[(E)-pent-2-en-3-yl]thiophene has a molecular weight of 259.21 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,5-dimethyl-4-[(E)-pent-2-en-3-yl]thiophene is sourced from PubChem (CID 58667177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).