2-chlorosulfonyloxypropane

C3H7ClO3S — CID 12837955

IUPAC2-chlorosulfonyloxypropane
SMILESCC(C)OS(=O)(=O)Cl
InChIInChI=1S/C3H7ClO3S/c1-3(2)7-8(4,5)6/h3H,1-2H3
InChIKeyZOZQKKYSAGUTAT-UHFFFAOYSA-N
MW158.61 g/mol
LogP0.89
Rot. Bonds2

About 2-chlorosulfonyloxypropane

2-chlorosulfonyloxypropane (PubChem CID 12837955) has the molecular formula C3H7ClO3S and a molecular weight of 158.61 g/mol. Its IUPAC name is 2-chlorosulfonyloxypropane.

Molecular Properties

Compound Name2-chlorosulfonyloxypropane
PubChem CID12837955
Molecular FormulaC3H7ClO3S
Molecular Weight158.61 g/mol
Exact Mass157.98
IUPAC Name2-chlorosulfonyloxypropane
SMILESCC(C)OS(=O)(=O)Cl
InChIInChI=1S/C3H7ClO3S/c1-3(2)7-8(4,5)6/h3H,1-2H3
InChIKeyZOZQKKYSAGUTAT-UHFFFAOYSA-N
XLogP0.89
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.61
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chlorosulfonyloxypropane 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-chlorosulfonyloxypropane?
The IUPAC name of 2-chlorosulfonyloxypropane (CID 12837955) is 2-chlorosulfonyloxypropane.
What is the SMILES notation for 2-chlorosulfonyloxypropane?
The canonical SMILES for 2-chlorosulfonyloxypropane is CC(C)OS(=O)(=O)Cl.
What is the InChIKey of 2-chlorosulfonyloxypropane?
The InChIKey is ZOZQKKYSAGUTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7ClO3S/c1-3(2)7-8(4,5)6/h3H,1-2H3.
What are the key properties of 2-chlorosulfonyloxypropane?
2-chlorosulfonyloxypropane has a molecular weight of 158.61 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorosulfonyloxypropane is sourced from PubChem (CID 12837955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).