(Z)-3-bromo-1-methylsulfonylprop-1-ene

C4H7BrO2S — CID 88758776

IUPAC(Z)-3-bromo-1-methylsulfonylprop-1-ene
SMILESCS(=O)(=O)/C=C\CBr
InChIInChI=1S/C4H7BrO2S/c1-8(6,7)4-2-3-5/h2,4H,3H2,1H3/b4-2-
InChIKeyOVAXXBFZRNVDJL-RQOWECAXSA-N
MW199.07 g/mol
LogP0.94
Rot. Bonds2

About (Z)-3-bromo-1-methylsulfonylprop-1-ene

(Z)-3-bromo-1-methylsulfonylprop-1-ene (PubChem CID 88758776) has the molecular formula C4H7BrO2S and a molecular weight of 199.07 g/mol. Its IUPAC name is (Z)-3-bromo-1-methylsulfonylprop-1-ene.

Molecular Properties

Compound Name(Z)-3-bromo-1-methylsulfonylprop-1-ene
PubChem CID88758776
Molecular FormulaC4H7BrO2S
Molecular Weight199.07 g/mol
Exact Mass197.94
IUPAC Name(Z)-3-bromo-1-methylsulfonylprop-1-ene
SMILESCS(=O)(=O)/C=C\CBr
InChIInChI=1S/C4H7BrO2S/c1-8(6,7)4-2-3-5/h2,4H,3H2,1H3/b4-2-
InChIKeyOVAXXBFZRNVDJL-RQOWECAXSA-N
XLogP0.94
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.07
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-bromo-1-methylsulfonylprop-1-ene?
The IUPAC name of (Z)-3-bromo-1-methylsulfonylprop-1-ene (CID 88758776) is (Z)-3-bromo-1-methylsulfonylprop-1-ene.
What is the SMILES notation for (Z)-3-bromo-1-methylsulfonylprop-1-ene?
The canonical SMILES for (Z)-3-bromo-1-methylsulfonylprop-1-ene is CS(=O)(=O)/C=C\CBr.
What is the InChIKey of (Z)-3-bromo-1-methylsulfonylprop-1-ene?
The InChIKey is OVAXXBFZRNVDJL-RQOWECAXSA-N. The full InChI is InChI=1S/C4H7BrO2S/c1-8(6,7)4-2-3-5/h2,4H,3H2,1H3/b4-2-.
What are the key properties of (Z)-3-bromo-1-methylsulfonylprop-1-ene?
(Z)-3-bromo-1-methylsulfonylprop-1-ene has a molecular weight of 199.07 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-bromo-1-methylsulfonylprop-1-ene is sourced from PubChem (CID 88758776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).