3-bromo-2,4,5-trimethylthiophene

C7H9BrS — CID 58863409

IUPAC3-bromo-2,4,5-trimethylthiophene
SMILESCc1sc(C)c(Br)c1C
InChIInChI=1S/C7H9BrS/c1-4-5(2)9-6(3)7(4)8/h1-3H3
InChIKeyBFJFNKVVMHQWOS-UHFFFAOYSA-N
MW205.12 g/mol
LogP3.44
Rot. Bonds

About 3-bromo-2,4,5-trimethylthiophene

3-bromo-2,4,5-trimethylthiophene (PubChem CID 58863409) has the molecular formula C7H9BrS and a molecular weight of 205.12 g/mol. Its IUPAC name is 3-bromo-2,4,5-trimethylthiophene.

Molecular Properties

Compound Name3-bromo-2,4,5-trimethylthiophene
PubChem CID58863409
Molecular FormulaC7H9BrS
Molecular Weight205.12 g/mol
Exact Mass203.96
IUPAC Name3-bromo-2,4,5-trimethylthiophene
SMILESCc1sc(C)c(Br)c1C
InChIInChI=1S/C7H9BrS/c1-4-5(2)9-6(3)7(4)8/h1-3H3
InChIKeyBFJFNKVVMHQWOS-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.12
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,4,5-trimethylthiophene?
The IUPAC name of 3-bromo-2,4,5-trimethylthiophene (CID 58863409) is 3-bromo-2,4,5-trimethylthiophene.
What is the SMILES notation for 3-bromo-2,4,5-trimethylthiophene?
The canonical SMILES for 3-bromo-2,4,5-trimethylthiophene is Cc1sc(C)c(Br)c1C.
What is the InChIKey of 3-bromo-2,4,5-trimethylthiophene?
The InChIKey is BFJFNKVVMHQWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrS/c1-4-5(2)9-6(3)7(4)8/h1-3H3.
What are the key properties of 3-bromo-2,4,5-trimethylthiophene?
3-bromo-2,4,5-trimethylthiophene has a molecular weight of 205.12 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,4,5-trimethylthiophene is sourced from PubChem (CID 58863409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).