chloro prop-2-enyl sulfite

C3H5ClO3S — CID 87537470

IUPACchloro prop-2-enyl sulfite
SMILESC=CCOS(=O)OCl
InChIInChI=1S/C3H5ClO3S/c1-2-3-6-8(5)7-4/h2H,1,3H2
InChIKeyKTKMCUZPVAORMV-UHFFFAOYSA-N
MW156.59 g/mol
LogP0.94
Rot. Bonds4

About chloro prop-2-enyl sulfite

chloro prop-2-enyl sulfite (PubChem CID 87537470) has the molecular formula C3H5ClO3S and a molecular weight of 156.59 g/mol. Its IUPAC name is chloro prop-2-enyl sulfite.

Molecular Properties

Compound Namechloro prop-2-enyl sulfite
PubChem CID87537470
Molecular FormulaC3H5ClO3S
Molecular Weight156.59 g/mol
Exact Mass155.96
IUPAC Namechloro prop-2-enyl sulfite
SMILESC=CCOS(=O)OCl
InChIInChI=1S/C3H5ClO3S/c1-2-3-6-8(5)7-4/h2H,1,3H2
InChIKeyKTKMCUZPVAORMV-UHFFFAOYSA-N
XLogP0.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.59
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 chloro prop-2-enyl sulfite?
The IUPAC name of chloro prop-2-enyl sulfite (CID 87537470) is chloro prop-2-enyl sulfite.
What is the SMILES notation for chloro prop-2-enyl sulfite?
The canonical SMILES for chloro prop-2-enyl sulfite is C=CCOS(=O)OCl.
What is the InChIKey of chloro prop-2-enyl sulfite?
The InChIKey is KTKMCUZPVAORMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClO3S/c1-2-3-6-8(5)7-4/h2H,1,3H2.
What are the key properties of chloro prop-2-enyl sulfite?
chloro prop-2-enyl sulfite has a molecular weight of 156.59 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro prop-2-enyl sulfite is sourced from PubChem (CID 87537470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).