3-bromo-4-propan-2-ylthiophene

C7H9BrS — CID 58431361

IUPAC3-bromo-4-propan-2-ylthiophene
SMILESCC(C)c1cscc1Br
InChIInChI=1S/C7H9BrS/c1-5(2)6-3-9-4-7(6)8/h3-5H,1-2H3
InChIKeyVECMRGDKMBWRIK-UHFFFAOYSA-N
MW205.12 g/mol
LogP3.63
Rot. Bonds1

About 3-bromo-4-propan-2-ylthiophene

3-bromo-4-propan-2-ylthiophene (PubChem CID 58431361) has the molecular formula C7H9BrS and a molecular weight of 205.12 g/mol. Its IUPAC name is 3-bromo-4-propan-2-ylthiophene.

Molecular Properties

Compound Name3-bromo-4-propan-2-ylthiophene
PubChem CID58431361
Molecular FormulaC7H9BrS
Molecular Weight205.12 g/mol
Exact Mass203.96
IUPAC Name3-bromo-4-propan-2-ylthiophene
SMILESCC(C)c1cscc1Br
InChIInChI=1S/C7H9BrS/c1-5(2)6-3-9-4-7(6)8/h3-5H,1-2H3
InChIKeyVECMRGDKMBWRIK-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.12
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-propan-2-ylthiophene?
The IUPAC name of 3-bromo-4-propan-2-ylthiophene (CID 58431361) is 3-bromo-4-propan-2-ylthiophene.
What is the SMILES notation for 3-bromo-4-propan-2-ylthiophene?
The canonical SMILES for 3-bromo-4-propan-2-ylthiophene is CC(C)c1cscc1Br.
What is the InChIKey of 3-bromo-4-propan-2-ylthiophene?
The InChIKey is VECMRGDKMBWRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrS/c1-5(2)6-3-9-4-7(6)8/h3-5H,1-2H3.
What are the key properties of 3-bromo-4-propan-2-ylthiophene?
3-bromo-4-propan-2-ylthiophene has a molecular weight of 205.12 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-propan-2-ylthiophene is sourced from PubChem (CID 58431361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).