3-bromo-2-cyclopropyl-4,5-dimethylthiophene

C9H11BrS — CID 20828564

IUPAC3-bromo-2-cyclopropyl-4,5-dimethylthiophene
SMILESCc1sc(C2CC2)c(Br)c1C
InChIInChI=1S/C9H11BrS/c1-5-6(2)11-9(8(5)10)7-3-4-7/h7H,3-4H2,1-2H3
InChIKeySNCAMRQYSOOBMA-UHFFFAOYSA-N
MW231.16 g/mol
LogP4.00
Rot. Bonds1

About 3-bromo-2-cyclopropyl-4,5-dimethylthiophene

3-bromo-2-cyclopropyl-4,5-dimethylthiophene (PubChem CID 20828564) has the molecular formula C9H11BrS and a molecular weight of 231.16 g/mol. Its IUPAC name is 3-bromo-2-cyclopropyl-4,5-dimethylthiophene.

Molecular Properties

Compound Name3-bromo-2-cyclopropyl-4,5-dimethylthiophene
PubChem CID20828564
Molecular FormulaC9H11BrS
Molecular Weight231.16 g/mol
Exact Mass229.98
IUPAC Name3-bromo-2-cyclopropyl-4,5-dimethylthiophene
SMILESCc1sc(C2CC2)c(Br)c1C
InChIInChI=1S/C9H11BrS/c1-5-6(2)11-9(8(5)10)7-3-4-7/h7H,3-4H2,1-2H3
InChIKeySNCAMRQYSOOBMA-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.16
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-cyclopropyl-4,5-dimethylthiophene?
The IUPAC name of 3-bromo-2-cyclopropyl-4,5-dimethylthiophene (CID 20828564) is 3-bromo-2-cyclopropyl-4,5-dimethylthiophene.
What is the SMILES notation for 3-bromo-2-cyclopropyl-4,5-dimethylthiophene?
The canonical SMILES for 3-bromo-2-cyclopropyl-4,5-dimethylthiophene is Cc1sc(C2CC2)c(Br)c1C.
What is the InChIKey of 3-bromo-2-cyclopropyl-4,5-dimethylthiophene?
The InChIKey is SNCAMRQYSOOBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrS/c1-5-6(2)11-9(8(5)10)7-3-4-7/h7H,3-4H2,1-2H3.
What are the key properties of 3-bromo-2-cyclopropyl-4,5-dimethylthiophene?
3-bromo-2-cyclopropyl-4,5-dimethylthiophene has a molecular weight of 231.16 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-cyclopropyl-4,5-dimethylthiophene is sourced from PubChem (CID 20828564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).