1-bromoprop-2-ene-1-sulfonyl chloride

C3H4BrClO2S — CID 87271860

IUPAC1-bromoprop-2-ene-1-sulfonyl chloride
SMILESC=CC(Br)S(=O)(=O)Cl
InChIInChI=1S/C3H4BrClO2S/c1-2-3(4)8(5,6)7/h2-3H,1H2
InChIKeyZFIGPLWAIYKYMZ-UHFFFAOYSA-N
MW219.49 g/mol
LogP1.46
Rot. Bonds2

About 1-bromoprop-2-ene-1-sulfonyl chloride

1-bromoprop-2-ene-1-sulfonyl chloride (PubChem CID 87271860) has the molecular formula C3H4BrClO2S and a molecular weight of 219.49 g/mol. Its IUPAC name is 1-bromoprop-2-ene-1-sulfonyl chloride.

Molecular Properties

Compound Name1-bromoprop-2-ene-1-sulfonyl chloride
PubChem CID87271860
Molecular FormulaC3H4BrClO2S
Molecular Weight219.49 g/mol
Exact Mass217.88
IUPAC Name1-bromoprop-2-ene-1-sulfonyl chloride
SMILESC=CC(Br)S(=O)(=O)Cl
InChIInChI=1S/C3H4BrClO2S/c1-2-3(4)8(5,6)7/h2-3H,1H2
InChIKeyZFIGPLWAIYKYMZ-UHFFFAOYSA-N
XLogP1.46
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.49
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromoprop-2-ene-1-sulfonyl chloride?
The IUPAC name of 1-bromoprop-2-ene-1-sulfonyl chloride (CID 87271860) is 1-bromoprop-2-ene-1-sulfonyl chloride.
What is the SMILES notation for 1-bromoprop-2-ene-1-sulfonyl chloride?
The canonical SMILES for 1-bromoprop-2-ene-1-sulfonyl chloride is C=CC(Br)S(=O)(=O)Cl.
What is the InChIKey of 1-bromoprop-2-ene-1-sulfonyl chloride?
The InChIKey is ZFIGPLWAIYKYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4BrClO2S/c1-2-3(4)8(5,6)7/h2-3H,1H2.
What are the key properties of 1-bromoprop-2-ene-1-sulfonyl chloride?
1-bromoprop-2-ene-1-sulfonyl chloride has a molecular weight of 219.49 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromoprop-2-ene-1-sulfonyl chloride is sourced from PubChem (CID 87271860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).