prop-2-ene-1-sulfonyl bromide

C3H5BrO2S — CID 21400636

IUPACprop-2-ene-1-sulfonyl bromide
SMILESC=CCS(=O)(=O)Br
InChIInChI=1S/C3H5BrO2S/c1-2-3-7(4,5)6/h2H,1,3H2
InChIKeyLQOYYGQPEBNDQM-UHFFFAOYSA-N
MW185.04 g/mol
LogP0.90
Rot. Bonds2

About prop-2-ene-1-sulfonyl bromide

prop-2-ene-1-sulfonyl bromide (PubChem CID 21400636) has the molecular formula C3H5BrO2S and a molecular weight of 185.04 g/mol. Its IUPAC name is prop-2-ene-1-sulfonyl bromide.

Molecular Properties

Compound Nameprop-2-ene-1-sulfonyl bromide
PubChem CID21400636
Molecular FormulaC3H5BrO2S
Molecular Weight185.04 g/mol
Exact Mass183.92
IUPAC Nameprop-2-ene-1-sulfonyl bromide
SMILESC=CCS(=O)(=O)Br
InChIInChI=1S/C3H5BrO2S/c1-2-3-7(4,5)6/h2H,1,3H2
InChIKeyLQOYYGQPEBNDQM-UHFFFAOYSA-N
XLogP0.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.04
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-ene-1-sulfonyl bromide?
The IUPAC name of prop-2-ene-1-sulfonyl bromide (CID 21400636) is prop-2-ene-1-sulfonyl bromide.
What is the SMILES notation for prop-2-ene-1-sulfonyl bromide?
The canonical SMILES for prop-2-ene-1-sulfonyl bromide is C=CCS(=O)(=O)Br.
What is the InChIKey of prop-2-ene-1-sulfonyl bromide?
The InChIKey is LQOYYGQPEBNDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5BrO2S/c1-2-3-7(4,5)6/h2H,1,3H2.
What are the key properties of prop-2-ene-1-sulfonyl bromide?
prop-2-ene-1-sulfonyl bromide has a molecular weight of 185.04 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ene-1-sulfonyl bromide is sourced from PubChem (CID 21400636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).