2-chloro-3-prop-2-enylsulfonylprop-1-ene

C6H9ClO2S — CID 11030426

IUPAC2-chloro-3-prop-2-enylsulfonylprop-1-ene
SMILESC=CCS(=O)(=O)CC(=C)Cl
InChIInChI=1S/C6H9ClO2S/c1-3-4-10(8,9)5-6(2)7/h3H,1-2,4-5H2
InChIKeyXRSVEOKVWXNGPX-UHFFFAOYSA-N
MW180.66 g/mol
LogP1.34
Rot. Bonds4

About 2-chloro-3-prop-2-enylsulfonylprop-1-ene

2-chloro-3-prop-2-enylsulfonylprop-1-ene (PubChem CID 11030426) has the molecular formula C6H9ClO2S and a molecular weight of 180.66 g/mol. Its IUPAC name is 2-chloro-3-prop-2-enylsulfonylprop-1-ene.

Molecular Properties

Compound Name2-chloro-3-prop-2-enylsulfonylprop-1-ene
PubChem CID11030426
Molecular FormulaC6H9ClO2S
Molecular Weight180.66 g/mol
Exact Mass180.00
IUPAC Name2-chloro-3-prop-2-enylsulfonylprop-1-ene
SMILESC=CCS(=O)(=O)CC(=C)Cl
InChIInChI=1S/C6H9ClO2S/c1-3-4-10(8,9)5-6(2)7/h3H,1-2,4-5H2
InChIKeyXRSVEOKVWXNGPX-UHFFFAOYSA-N
XLogP1.34
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.66
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-3-prop-2-enylsulfonylprop-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-prop-2-enylsulfonylprop-1-ene?
The IUPAC name of 2-chloro-3-prop-2-enylsulfonylprop-1-ene (CID 11030426) is 2-chloro-3-prop-2-enylsulfonylprop-1-ene.
What is the SMILES notation for 2-chloro-3-prop-2-enylsulfonylprop-1-ene?
The canonical SMILES for 2-chloro-3-prop-2-enylsulfonylprop-1-ene is C=CCS(=O)(=O)CC(=C)Cl.
What is the InChIKey of 2-chloro-3-prop-2-enylsulfonylprop-1-ene?
The InChIKey is XRSVEOKVWXNGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClO2S/c1-3-4-10(8,9)5-6(2)7/h3H,1-2,4-5H2.
What are the key properties of 2-chloro-3-prop-2-enylsulfonylprop-1-ene?
2-chloro-3-prop-2-enylsulfonylprop-1-ene has a molecular weight of 180.66 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-prop-2-enylsulfonylprop-1-ene is sourced from PubChem (CID 11030426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).