2,3-dichloroprop-2-ene-1-sulfinate

C3H3Cl2O2S- — CID 56998237

IUPAC2,3-dichloroprop-2-ene-1-sulfinate
SMILESO=S([O-])CC(Cl)=CCl
InChIInChI=1S/C3H4Cl2O2S/c4-1-3(5)2-8(6)7/h1H,2H2,(H,6,7)/p-1
InChIKeyXTWQKNVTFOSJJN-UHFFFAOYSA-M
MW174.03 g/mol
LogP1.18
Rot. Bonds2

About 2,3-dichloroprop-2-ene-1-sulfinate

2,3-dichloroprop-2-ene-1-sulfinate (PubChem CID 56998237) has the molecular formula C3H3Cl2O2S- and a molecular weight of 174.03 g/mol. Its IUPAC name is 2,3-dichloroprop-2-ene-1-sulfinate.

Molecular Properties

Compound Name2,3-dichloroprop-2-ene-1-sulfinate
PubChem CID56998237
Molecular FormulaC3H3Cl2O2S-
Molecular Weight174.03 g/mol
Exact Mass172.92
IUPAC Name2,3-dichloroprop-2-ene-1-sulfinate
SMILESO=S([O-])CC(Cl)=CCl
InChIInChI=1S/C3H4Cl2O2S/c4-1-3(5)2-8(6)7/h1H,2H2,(H,6,7)/p-1
InChIKeyXTWQKNVTFOSJJN-UHFFFAOYSA-M
XLogP1.18
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.03
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloroprop-2-ene-1-sulfinate?
The IUPAC name of 2,3-dichloroprop-2-ene-1-sulfinate (CID 56998237) is 2,3-dichloroprop-2-ene-1-sulfinate.
What is the SMILES notation for 2,3-dichloroprop-2-ene-1-sulfinate?
The canonical SMILES for 2,3-dichloroprop-2-ene-1-sulfinate is O=S([O-])CC(Cl)=CCl.
What is the InChIKey of 2,3-dichloroprop-2-ene-1-sulfinate?
The InChIKey is XTWQKNVTFOSJJN-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H4Cl2O2S/c4-1-3(5)2-8(6)7/h1H,2H2,(H,6,7)/p-1.
What are the key properties of 2,3-dichloroprop-2-ene-1-sulfinate?
2,3-dichloroprop-2-ene-1-sulfinate has a molecular weight of 174.03 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloroprop-2-ene-1-sulfinate is sourced from PubChem (CID 56998237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).