2-bromo-3,5-dimethylthiophene

C6H7BrS — CID 15306146

IUPAC2-bromo-3,5-dimethylthiophene
SMILESCc1cc(C)c(Br)s1
InChIInChI=1S/C6H7BrS/c1-4-3-5(2)8-6(4)7/h3H,1-2H3
InChIKeyRKANUDQVJZLGOO-UHFFFAOYSA-N
MW191.09 g/mol
LogP3.13
Rot. Bonds

About 2-bromo-3,5-dimethylthiophene

2-bromo-3,5-dimethylthiophene (PubChem CID 15306146) has the molecular formula C6H7BrS and a molecular weight of 191.09 g/mol. Its IUPAC name is 2-bromo-3,5-dimethylthiophene.

Molecular Properties

Compound Name2-bromo-3,5-dimethylthiophene
PubChem CID15306146
Molecular FormulaC6H7BrS
Molecular Weight191.09 g/mol
Exact Mass189.95
IUPAC Name2-bromo-3,5-dimethylthiophene
SMILESCc1cc(C)c(Br)s1
InChIInChI=1S/C6H7BrS/c1-4-3-5(2)8-6(4)7/h3H,1-2H3
InChIKeyRKANUDQVJZLGOO-UHFFFAOYSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.09
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,5-dimethylthiophene?
The IUPAC name of 2-bromo-3,5-dimethylthiophene (CID 15306146) is 2-bromo-3,5-dimethylthiophene.
What is the SMILES notation for 2-bromo-3,5-dimethylthiophene?
The canonical SMILES for 2-bromo-3,5-dimethylthiophene is Cc1cc(C)c(Br)s1.
What is the InChIKey of 2-bromo-3,5-dimethylthiophene?
The InChIKey is RKANUDQVJZLGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrS/c1-4-3-5(2)8-6(4)7/h3H,1-2H3.
What are the key properties of 2-bromo-3,5-dimethylthiophene?
2-bromo-3,5-dimethylthiophene has a molecular weight of 191.09 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,5-dimethylthiophene is sourced from PubChem (CID 15306146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).