2,3-dichloroprop-2-ene-1-sulfinic acid

C3H4Cl2O2S — CID 56998238

IUPAC2,3-dichloroprop-2-ene-1-sulfinic acid
SMILESO=S(O)CC(Cl)=CCl
InChIInChI=1S/C3H4Cl2O2S/c4-1-3(5)2-8(6)7/h1H,2H2,(H,6,7)
InChIKeyXTWQKNVTFOSJJN-UHFFFAOYSA-N
MW175.04 g/mol
LogP1.53
Rot. Bonds2

About 2,3-dichloroprop-2-ene-1-sulfinic acid

2,3-dichloroprop-2-ene-1-sulfinic acid (PubChem CID 56998238) has the molecular formula C3H4Cl2O2S and a molecular weight of 175.04 g/mol. Its IUPAC name is 2,3-dichloroprop-2-ene-1-sulfinic acid.

Molecular Properties

Compound Name2,3-dichloroprop-2-ene-1-sulfinic acid
PubChem CID56998238
Molecular FormulaC3H4Cl2O2S
Molecular Weight175.04 g/mol
Exact Mass173.93
IUPAC Name2,3-dichloroprop-2-ene-1-sulfinic acid
SMILESO=S(O)CC(Cl)=CCl
InChIInChI=1S/C3H4Cl2O2S/c4-1-3(5)2-8(6)7/h1H,2H2,(H,6,7)
InChIKeyXTWQKNVTFOSJJN-UHFFFAOYSA-N
XLogP1.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.04
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-sulfinic acid?
The IUPAC name of 2,3-dichloroprop-2-ene-1-sulfinic acid (CID 56998238) is 2,3-dichloroprop-2-ene-1-sulfinic acid.
What is the SMILES notation for 2,3-dichloroprop-2-ene-1-sulfinic acid?
The canonical SMILES for 2,3-dichloroprop-2-ene-1-sulfinic acid is O=S(O)CC(Cl)=CCl.
What is the InChIKey of 2,3-dichloroprop-2-ene-1-sulfinic acid?
The InChIKey is XTWQKNVTFOSJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4Cl2O2S/c4-1-3(5)2-8(6)7/h1H,2H2,(H,6,7).
What are the key properties of 2,3-dichloroprop-2-ene-1-sulfinic acid?
2,3-dichloroprop-2-ene-1-sulfinic acid has a molecular weight of 175.04 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloroprop-2-ene-1-sulfinic acid is sourced from PubChem (CID 56998238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).