(Z)-4-bromobut-2-ene-1-sulfonyl chloride

C4H6BrClO2S — CID 152886663

IUPAC(Z)-4-bromobut-2-ene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C/C=C\CBr
InChIInChI=1S/C4H6BrClO2S/c5-3-1-2-4-9(6,7)8/h1-2H,3-4H2/b2-1-
InChIKeyUCQCZJUFTQMHPM-UPHRSURJSA-N
MW233.51 g/mol
LogP1.51
Rot. Bonds3

About (Z)-4-bromobut-2-ene-1-sulfonyl chloride

(Z)-4-bromobut-2-ene-1-sulfonyl chloride (PubChem CID 152886663) has the molecular formula C4H6BrClO2S and a molecular weight of 233.51 g/mol. Its IUPAC name is (Z)-4-bromobut-2-ene-1-sulfonyl chloride.

Molecular Properties

Compound Name(Z)-4-bromobut-2-ene-1-sulfonyl chloride
PubChem CID152886663
Molecular FormulaC4H6BrClO2S
Molecular Weight233.51 g/mol
Exact Mass231.90
IUPAC Name(Z)-4-bromobut-2-ene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C/C=C\CBr
InChIInChI=1S/C4H6BrClO2S/c5-3-1-2-4-9(6,7)8/h1-2H,3-4H2/b2-1-
InChIKeyUCQCZJUFTQMHPM-UPHRSURJSA-N
XLogP1.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.51
LogP ≤ 51.51
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 (Z)-4-bromobut-2-ene-1-sulfonyl chloride?
The IUPAC name of (Z)-4-bromobut-2-ene-1-sulfonyl chloride (CID 152886663) is (Z)-4-bromobut-2-ene-1-sulfonyl chloride.
What is the SMILES notation for (Z)-4-bromobut-2-ene-1-sulfonyl chloride?
The canonical SMILES for (Z)-4-bromobut-2-ene-1-sulfonyl chloride is O=S(=O)(Cl)C/C=C\CBr.
What is the InChIKey of (Z)-4-bromobut-2-ene-1-sulfonyl chloride?
The InChIKey is UCQCZJUFTQMHPM-UPHRSURJSA-N. The full InChI is InChI=1S/C4H6BrClO2S/c5-3-1-2-4-9(6,7)8/h1-2H,3-4H2/b2-1-.
What are the key properties of (Z)-4-bromobut-2-ene-1-sulfonyl chloride?
(Z)-4-bromobut-2-ene-1-sulfonyl chloride has a molecular weight of 233.51 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-bromobut-2-ene-1-sulfonyl chloride is sourced from PubChem (CID 152886663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).