3-chlorosulfonyloxyprop-1-ene

C3H5ClO3S — CID 87436620

IUPAC3-chlorosulfonyloxyprop-1-ene
SMILESC=CCOS(=O)(=O)Cl
InChIInChI=1S/C3H5ClO3S/c1-2-3-7-8(4,5)6/h2H,1,3H2
InChIKeyFBDGGMJNSMPUGO-UHFFFAOYSA-N
MW156.59 g/mol
LogP0.67
Rot. Bonds3

About 3-chlorosulfonyloxyprop-1-ene

3-chlorosulfonyloxyprop-1-ene (PubChem CID 87436620) has the molecular formula C3H5ClO3S and a molecular weight of 156.59 g/mol. Its IUPAC name is 3-chlorosulfonyloxyprop-1-ene.

Molecular Properties

Compound Name3-chlorosulfonyloxyprop-1-ene
PubChem CID87436620
Molecular FormulaC3H5ClO3S
Molecular Weight156.59 g/mol
Exact Mass155.96
IUPAC Name3-chlorosulfonyloxyprop-1-ene
SMILESC=CCOS(=O)(=O)Cl
InChIInChI=1S/C3H5ClO3S/c1-2-3-7-8(4,5)6/h2H,1,3H2
InChIKeyFBDGGMJNSMPUGO-UHFFFAOYSA-N
XLogP0.67
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.59
LogP ≤ 50.67
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 3-chlorosulfonyloxyprop-1-ene?
The IUPAC name of 3-chlorosulfonyloxyprop-1-ene (CID 87436620) is 3-chlorosulfonyloxyprop-1-ene.
What is the SMILES notation for 3-chlorosulfonyloxyprop-1-ene?
The canonical SMILES for 3-chlorosulfonyloxyprop-1-ene is C=CCOS(=O)(=O)Cl.
What is the InChIKey of 3-chlorosulfonyloxyprop-1-ene?
The InChIKey is FBDGGMJNSMPUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClO3S/c1-2-3-7-8(4,5)6/h2H,1,3H2.
What are the key properties of 3-chlorosulfonyloxyprop-1-ene?
3-chlorosulfonyloxyprop-1-ene has a molecular weight of 156.59 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorosulfonyloxyprop-1-ene is sourced from PubChem (CID 87436620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).