1-chlorocyclopropane-1-sulfinate

C3H4ClO2S- — CID 67153744

IUPAC1-chlorocyclopropane-1-sulfinate
SMILESO=S([O-])C1(Cl)CC1
InChIInChI=1S/C3H5ClO2S/c4-3(1-2-3)7(5)6/h1-2H2,(H,5,6)/p-1
InChIKeyBSRZUYPCHOLNNS-UHFFFAOYSA-M
MW139.58 g/mol
LogP0.59
Rot. Bonds1

About 1-chlorocyclopropane-1-sulfinate

1-chlorocyclopropane-1-sulfinate (PubChem CID 67153744) has the molecular formula C3H4ClO2S- and a molecular weight of 139.58 g/mol. Its IUPAC name is 1-chlorocyclopropane-1-sulfinate.

Molecular Properties

Compound Name1-chlorocyclopropane-1-sulfinate
PubChem CID67153744
Molecular FormulaC3H4ClO2S-
Molecular Weight139.58 g/mol
Exact Mass138.96
IUPAC Name1-chlorocyclopropane-1-sulfinate
SMILESO=S([O-])C1(Cl)CC1
InChIInChI=1S/C3H5ClO2S/c4-3(1-2-3)7(5)6/h1-2H2,(H,5,6)/p-1
InChIKeyBSRZUYPCHOLNNS-UHFFFAOYSA-M
XLogP0.59
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.58
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-chlorocyclopropane-1-sulfinate 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 1-chlorocyclopropane-1-sulfinate?
The IUPAC name of 1-chlorocyclopropane-1-sulfinate (CID 67153744) is 1-chlorocyclopropane-1-sulfinate.
What is the SMILES notation for 1-chlorocyclopropane-1-sulfinate?
The canonical SMILES for 1-chlorocyclopropane-1-sulfinate is O=S([O-])C1(Cl)CC1.
What is the InChIKey of 1-chlorocyclopropane-1-sulfinate?
The InChIKey is BSRZUYPCHOLNNS-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H5ClO2S/c4-3(1-2-3)7(5)6/h1-2H2,(H,5,6)/p-1.
What are the key properties of 1-chlorocyclopropane-1-sulfinate?
1-chlorocyclopropane-1-sulfinate has a molecular weight of 139.58 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorocyclopropane-1-sulfinate is sourced from PubChem (CID 67153744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).