5-bromo-2-methyl-2,3-dihydrothiophene

C5H7BrS — CID 88984549

IUPAC5-bromo-2-methyl-2,3-dihydrothiophene
SMILESCC1CC=C(Br)S1
InChIInChI=1S/C5H7BrS/c1-4-2-3-5(6)7-4/h3-4H,2H2,1H3
InChIKeyOAIOOYDCWAKQFX-UHFFFAOYSA-N
MW179.08 g/mol
LogP2.75
Rot. Bonds

About 5-bromo-2-methyl-2,3-dihydrothiophene

5-bromo-2-methyl-2,3-dihydrothiophene (PubChem CID 88984549) has the molecular formula C5H7BrS and a molecular weight of 179.08 g/mol. Its IUPAC name is 5-bromo-2-methyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name5-bromo-2-methyl-2,3-dihydrothiophene
PubChem CID88984549
Molecular FormulaC5H7BrS
Molecular Weight179.08 g/mol
Exact Mass177.95
IUPAC Name5-bromo-2-methyl-2,3-dihydrothiophene
SMILESCC1CC=C(Br)S1
InChIInChI=1S/C5H7BrS/c1-4-2-3-5(6)7-4/h3-4H,2H2,1H3
InChIKeyOAIOOYDCWAKQFX-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.08
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-2,3-dihydrothiophene?
The IUPAC name of 5-bromo-2-methyl-2,3-dihydrothiophene (CID 88984549) is 5-bromo-2-methyl-2,3-dihydrothiophene.
What is the SMILES notation for 5-bromo-2-methyl-2,3-dihydrothiophene?
The canonical SMILES for 5-bromo-2-methyl-2,3-dihydrothiophene is CC1CC=C(Br)S1.
What is the InChIKey of 5-bromo-2-methyl-2,3-dihydrothiophene?
The InChIKey is OAIOOYDCWAKQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrS/c1-4-2-3-5(6)7-4/h3-4H,2H2,1H3.
What are the key properties of 5-bromo-2-methyl-2,3-dihydrothiophene?
5-bromo-2-methyl-2,3-dihydrothiophene has a molecular weight of 179.08 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-2,3-dihydrothiophene is sourced from PubChem (CID 88984549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).