methyl 3-chlorosulfinyl-2,2-dimethylpropanoate

C6H11ClO3S — CID 165452595

IUPACmethyl 3-chlorosulfinyl-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CS(=O)Cl
InChIInChI=1S/C6H11ClO3S/c1-6(2,4-11(7)9)5(8)10-3/h4H2,1-3H3
InChIKeyDRVUYVLATCPTFO-UHFFFAOYSA-N
MW198.67 g/mol
LogP1.09
Rot. Bonds3

About methyl 3-chlorosulfinyl-2,2-dimethylpropanoate

methyl 3-chlorosulfinyl-2,2-dimethylpropanoate (PubChem CID 165452595) has the molecular formula C6H11ClO3S and a molecular weight of 198.67 g/mol. Its IUPAC name is methyl 3-chlorosulfinyl-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-chlorosulfinyl-2,2-dimethylpropanoate
PubChem CID165452595
Molecular FormulaC6H11ClO3S
Molecular Weight198.67 g/mol
Exact Mass198.01
IUPAC Namemethyl 3-chlorosulfinyl-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CS(=O)Cl
InChIInChI=1S/C6H11ClO3S/c1-6(2,4-11(7)9)5(8)10-3/h4H2,1-3H3
InChIKeyDRVUYVLATCPTFO-UHFFFAOYSA-N
XLogP1.09
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.67
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3-chlorosulfinyl-2,2-dimethylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-chlorosulfinyl-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-chlorosulfinyl-2,2-dimethylpropanoate (CID 165452595) is methyl 3-chlorosulfinyl-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-chlorosulfinyl-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-chlorosulfinyl-2,2-dimethylpropanoate is COC(=O)C(C)(C)CS(=O)Cl.
What is the InChIKey of methyl 3-chlorosulfinyl-2,2-dimethylpropanoate?
The InChIKey is DRVUYVLATCPTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO3S/c1-6(2,4-11(7)9)5(8)10-3/h4H2,1-3H3.
What are the key properties of methyl 3-chlorosulfinyl-2,2-dimethylpropanoate?
methyl 3-chlorosulfinyl-2,2-dimethylpropanoate has a molecular weight of 198.67 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chlorosulfinyl-2,2-dimethylpropanoate is sourced from PubChem (CID 165452595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).