3-bromo-2-chloro-5-methylthiophene

C5H4BrClS — CID 20732074

IUPAC3-bromo-2-chloro-5-methylthiophene
SMILESCc1cc(Br)c(Cl)s1
InChIInChI=1S/C5H4BrClS/c1-3-2-4(6)5(7)8-3/h2H,1H3
InChIKeyGROLWOFAIVSUPN-UHFFFAOYSA-N
MW211.51 g/mol
LogP3.47
Rot. Bonds

About 3-bromo-2-chloro-5-methylthiophene

3-bromo-2-chloro-5-methylthiophene (PubChem CID 20732074) has the molecular formula C5H4BrClS and a molecular weight of 211.51 g/mol. Its IUPAC name is 3-bromo-2-chloro-5-methylthiophene.

Molecular Properties

Compound Name3-bromo-2-chloro-5-methylthiophene
PubChem CID20732074
Molecular FormulaC5H4BrClS
Molecular Weight211.51 g/mol
Exact Mass209.89
IUPAC Name3-bromo-2-chloro-5-methylthiophene
SMILESCc1cc(Br)c(Cl)s1
InChIInChI=1S/C5H4BrClS/c1-3-2-4(6)5(7)8-3/h2H,1H3
InChIKeyGROLWOFAIVSUPN-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.51
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-5-methylthiophene?
The IUPAC name of 3-bromo-2-chloro-5-methylthiophene (CID 20732074) is 3-bromo-2-chloro-5-methylthiophene.
What is the SMILES notation for 3-bromo-2-chloro-5-methylthiophene?
The canonical SMILES for 3-bromo-2-chloro-5-methylthiophene is Cc1cc(Br)c(Cl)s1.
What is the InChIKey of 3-bromo-2-chloro-5-methylthiophene?
The InChIKey is GROLWOFAIVSUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrClS/c1-3-2-4(6)5(7)8-3/h2H,1H3.
What are the key properties of 3-bromo-2-chloro-5-methylthiophene?
3-bromo-2-chloro-5-methylthiophene has a molecular weight of 211.51 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-5-methylthiophene is sourced from PubChem (CID 20732074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).