3-chlorosulfinyl-2-methylpropanoyl chloride

C4H6Cl2O2S — CID 12642379

IUPAC3-chlorosulfinyl-2-methylpropanoyl chloride
SMILESCC(CS(=O)Cl)C(=O)Cl
InChIInChI=1S/C4H6Cl2O2S/c1-3(4(5)7)2-9(6)8/h3H,2H2,1H3
InChIKeyOZGVFEYPRMDMOM-UHFFFAOYSA-N
MW189.06 g/mol
LogP1.29
Rot. Bonds3

About 3-chlorosulfinyl-2-methylpropanoyl chloride

3-chlorosulfinyl-2-methylpropanoyl chloride (PubChem CID 12642379) has the molecular formula C4H6Cl2O2S and a molecular weight of 189.06 g/mol. Its IUPAC name is 3-chlorosulfinyl-2-methylpropanoyl chloride.

Molecular Properties

Compound Name3-chlorosulfinyl-2-methylpropanoyl chloride
PubChem CID12642379
Molecular FormulaC4H6Cl2O2S
Molecular Weight189.06 g/mol
Exact Mass187.95
IUPAC Name3-chlorosulfinyl-2-methylpropanoyl chloride
SMILESCC(CS(=O)Cl)C(=O)Cl
InChIInChI=1S/C4H6Cl2O2S/c1-3(4(5)7)2-9(6)8/h3H,2H2,1H3
InChIKeyOZGVFEYPRMDMOM-UHFFFAOYSA-N
XLogP1.29
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.06
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-methylpentanoyl chloride
CID 7160703
3-methoxy-2-methylpropane-1-sulfinyl chloride
CID 165459514
propanoyl chloride;thionyl dichloride
CID 91232879
(2S)-2-methyloctadecanoyl chloride
CID 88703138
5-amino-4-hydroxy-2-methylpentanoyl chloride
CID 175367935
2-methyl-3-sulfinopropanoic acid
CID 2828757
(2R)-2-methyl-3-sulfinopropanoic acid
CID 7429293
2-methyldecanedioyl dichloride
CID 21217366
3-amino-2-methyl-3-oxopropane-1-sulfinic acid
CID 174845655
chlorosulfinylformyl chloride
CID 140972037
2,5-dimethyl-1-methylsulfinylhexan-3-one
CID 146932132
2,2-difluoro-2-(2-methylpropylsulfinyl)acetic acid
CID 81218226

Frequently Asked Questions

What is the IUPAC name of 3-chlorosulfinyl-2-methylpropanoyl chloride?
The IUPAC name of 3-chlorosulfinyl-2-methylpropanoyl chloride (CID 12642379) is 3-chlorosulfinyl-2-methylpropanoyl chloride.
What is the SMILES notation for 3-chlorosulfinyl-2-methylpropanoyl chloride?
The canonical SMILES for 3-chlorosulfinyl-2-methylpropanoyl chloride is CC(CS(=O)Cl)C(=O)Cl.
What is the InChIKey of 3-chlorosulfinyl-2-methylpropanoyl chloride?
The InChIKey is OZGVFEYPRMDMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Cl2O2S/c1-3(4(5)7)2-9(6)8/h3H,2H2,1H3.
What are the key properties of 3-chlorosulfinyl-2-methylpropanoyl chloride?
3-chlorosulfinyl-2-methylpropanoyl chloride has a molecular weight of 189.06 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorosulfinyl-2-methylpropanoyl chloride is sourced from PubChem (CID 12642379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).