3-chlorosulfinyloxyprop-1-ene

C3H5ClO2S — CID 87537469

IUPAC3-chlorosulfinyloxyprop-1-ene
SMILESC=CCOS(=O)Cl
InChIInChI=1S/C3H5ClO2S/c1-2-3-6-7(4)5/h2H,1,3H2
InChIKeyRUHSWARPJLZEQN-UHFFFAOYSA-N
MW140.59 g/mol
LogP1.01
Rot. Bonds3

About 3-chlorosulfinyloxyprop-1-ene

3-chlorosulfinyloxyprop-1-ene (PubChem CID 87537469) has the molecular formula C3H5ClO2S and a molecular weight of 140.59 g/mol. Its IUPAC name is 3-chlorosulfinyloxyprop-1-ene.

Molecular Properties

Compound Name3-chlorosulfinyloxyprop-1-ene
PubChem CID87537469
Molecular FormulaC3H5ClO2S
Molecular Weight140.59 g/mol
Exact Mass139.97
IUPAC Name3-chlorosulfinyloxyprop-1-ene
SMILESC=CCOS(=O)Cl
InChIInChI=1S/C3H5ClO2S/c1-2-3-6-7(4)5/h2H,1,3H2
InChIKeyRUHSWARPJLZEQN-UHFFFAOYSA-N
XLogP1.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.59
LogP ≤ 51.01
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 3-chlorosulfinyloxyprop-1-ene?
The IUPAC name of 3-chlorosulfinyloxyprop-1-ene (CID 87537469) is 3-chlorosulfinyloxyprop-1-ene.
What is the SMILES notation for 3-chlorosulfinyloxyprop-1-ene?
The canonical SMILES for 3-chlorosulfinyloxyprop-1-ene is C=CCOS(=O)Cl.
What is the InChIKey of 3-chlorosulfinyloxyprop-1-ene?
The InChIKey is RUHSWARPJLZEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClO2S/c1-2-3-6-7(4)5/h2H,1,3H2.
What are the key properties of 3-chlorosulfinyloxyprop-1-ene?
3-chlorosulfinyloxyprop-1-ene has a molecular weight of 140.59 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorosulfinyloxyprop-1-ene is sourced from PubChem (CID 87537469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).