2-chloroprop-2-ene-1-sulfinic acid

C3H5ClO2S — CID 57123118

IUPAC2-chloroprop-2-ene-1-sulfinic acid
SMILESC=C(Cl)CS(=O)O
InChIInChI=1S/C3H5ClO2S/c1-3(4)2-7(5)6/h1-2H2,(H,5,6)
InChIKeyLKXANBIOIAKOBF-UHFFFAOYSA-N
MW140.59 g/mol
LogP0.96
Rot. Bonds2

About 2-chloroprop-2-ene-1-sulfinic acid

2-chloroprop-2-ene-1-sulfinic acid (PubChem CID 57123118) has the molecular formula C3H5ClO2S and a molecular weight of 140.59 g/mol. Its IUPAC name is 2-chloroprop-2-ene-1-sulfinic acid.

Molecular Properties

Compound Name2-chloroprop-2-ene-1-sulfinic acid
PubChem CID57123118
Molecular FormulaC3H5ClO2S
Molecular Weight140.59 g/mol
Exact Mass139.97
IUPAC Name2-chloroprop-2-ene-1-sulfinic acid
SMILESC=C(Cl)CS(=O)O
InChIInChI=1S/C3H5ClO2S/c1-3(4)2-7(5)6/h1-2H2,(H,5,6)
InChIKeyLKXANBIOIAKOBF-UHFFFAOYSA-N
XLogP0.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.59
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Chloroprop-2-ene-1-sulfonyl chloride
CID 13971496
2-Propene-1-sulfonic acid, 2-chloro-, sodium salt
CID 23671251
2-Chloroprop-2-ene-1-sulfonic acid
CID 151312
2-Chloroprop-2-ene-1-sulfinate
CID 57123117
2-Chloroprop-1-ene-1-sulfonic acid
CID 154143228
CID 53630828
CID 53630828
2,3-Dichloroprop-2-ene-1-sulfinic acid
CID 56998238
3,3-Dichloroprop-2-ene-1-sulfinic acid
CID 57209825
3-Chloroprop-2-ene-1-sulfinic acid
CID 57255099
(Z)-2,3-dichloroprop-2-ene-1-sulfonic acid
CID 133665821
(E)-2,3-dichloroprop-2-ene-1-sulfonic acid
CID 139720181

Frequently Asked Questions

What is the IUPAC name of 2-chloroprop-2-ene-1-sulfinic acid?
The IUPAC name of 2-chloroprop-2-ene-1-sulfinic acid (CID 57123118) is 2-chloroprop-2-ene-1-sulfinic acid.
What is the SMILES notation for 2-chloroprop-2-ene-1-sulfinic acid?
The canonical SMILES for 2-chloroprop-2-ene-1-sulfinic acid is C=C(Cl)CS(=O)O.
What is the InChIKey of 2-chloroprop-2-ene-1-sulfinic acid?
The InChIKey is LKXANBIOIAKOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClO2S/c1-3(4)2-7(5)6/h1-2H2,(H,5,6).
What are the key properties of 2-chloroprop-2-ene-1-sulfinic acid?
2-chloroprop-2-ene-1-sulfinic acid has a molecular weight of 140.59 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroprop-2-ene-1-sulfinic acid is sourced from PubChem (CID 57123118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).