2-chlorosulfinylacetic acid

C2H3ClO3S — CID 87759618

IUPAC2-chlorosulfinylacetic acid
SMILESO=C(O)CS(=O)Cl
InChIInChI=1S/C2H3ClO3S/c3-7(6)1-2(4)5/h1H2,(H,4,5)
InChIKeyRZBHBESYFCXDAW-UHFFFAOYSA-N
MW142.56 g/mol
LogP-0.03
Rot. Bonds2

About 2-chlorosulfinylacetic acid

2-chlorosulfinylacetic acid (PubChem CID 87759618) has the molecular formula C2H3ClO3S and a molecular weight of 142.56 g/mol. Its IUPAC name is 2-chlorosulfinylacetic acid.

Molecular Properties

Compound Name2-chlorosulfinylacetic acid
PubChem CID87759618
Molecular FormulaC2H3ClO3S
Molecular Weight142.56 g/mol
Exact Mass141.95
IUPAC Name2-chlorosulfinylacetic acid
SMILESO=C(O)CS(=O)Cl
InChIInChI=1S/C2H3ClO3S/c3-7(6)1-2(4)5/h1H2,(H,4,5)
InChIKeyRZBHBESYFCXDAW-UHFFFAOYSA-N
XLogP-0.03
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.56
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(diethylamino)-2-oxoethanesulfinyl chloride
CID 165452710
2-(2-amino-2-oxoethyl)sulfinylacetic acid
CID 19373177
2-cyanosulfinylacetic acid
CID 88827078
2-[(S)-(4-chlorophenyl)sulfinyl]acetic acid
CID 13092891
2-(3-methylbutan-2-ylsulfinyl)acetic acid
CID 107753213
2-hydroxyacetic acid;sulfurous acid
CID 87280138
2-sulfanylacetic acid;sulfurous acid
CID 163597017
2-chloroacetic acid;silver
CID 87585147
chlorosulfinylformyl chloride
CID 140972037
nonaheptacontasodium;nonakis(2-chloroacetic acid)
CID 173182170
2-pyrimidin-2-ylsulfinylacetic acid
CID 170537145
propanoyl chloride;thionyl dichloride
CID 91232879

Frequently Asked Questions

What is the IUPAC name of 2-chlorosulfinylacetic acid?
The IUPAC name of 2-chlorosulfinylacetic acid (CID 87759618) is 2-chlorosulfinylacetic acid.
What is the SMILES notation for 2-chlorosulfinylacetic acid?
The canonical SMILES for 2-chlorosulfinylacetic acid is O=C(O)CS(=O)Cl.
What is the InChIKey of 2-chlorosulfinylacetic acid?
The InChIKey is RZBHBESYFCXDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3ClO3S/c3-7(6)1-2(4)5/h1H2,(H,4,5).
What are the key properties of 2-chlorosulfinylacetic acid?
2-chlorosulfinylacetic acid has a molecular weight of 142.56 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorosulfinylacetic acid is sourced from PubChem (CID 87759618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).