2-methylpropane-2-sulfinyl chloride

C4H9ClOS — CID 4686861

IUPAC2-methylpropane-2-sulfinyl chloride
SMILESCC(C)(C)S(=O)Cl
InChIInChI=1S/C4H9ClOS/c1-4(2,3)7(5)6/h1-3H3
InChIKeyZLJKQOWJEZSNBE-UHFFFAOYSA-N
MW140.63 g/mol
LogP1.69
Rot. Bonds

About 2-methylpropane-2-sulfinyl chloride

2-methylpropane-2-sulfinyl chloride (PubChem CID 4686861) has the molecular formula C4H9ClOS and a molecular weight of 140.63 g/mol. Its IUPAC name is 2-methylpropane-2-sulfinyl chloride.

Molecular Properties

Compound Name2-methylpropane-2-sulfinyl chloride
PubChem CID4686861
Molecular FormulaC4H9ClOS
Molecular Weight140.63 g/mol
Exact Mass140.01
IUPAC Name2-methylpropane-2-sulfinyl chloride
SMILESCC(C)(C)S(=O)Cl
InChIInChI=1S/C4H9ClOS/c1-4(2,3)7(5)6/h1-3H3
InChIKeyZLJKQOWJEZSNBE-UHFFFAOYSA-N
XLogP1.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.63
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methylpropane-2-sulfinyl chloride with MolForge

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

Launch Full Analysis

Related Compounds

2-Methylpropane-2-sulfonyl chloride
CID 12503843
2-Methylpropane-1-sulfinyl chloride
CID 15262188
2-Methylpropane-2-sulfinate
CID 6411723
1-Butanesulfinyl chloride
CID 11073517
2,2-Dimethylpropane-1-sulfinyl chloride
CID 12861209
Butane-2-sulfinyl chloride
CID 13699962
2-Methylpropane-2-sulfinyl bromide
CID 134928143
(1-Fluoro-2-methylpropan-2-yl)-oxosulfanium
CID 174536819
2-Methyl-2-methylsulfanylsulfinylpropane
CID 85787544
Tert-butylsulfinylphosphane
CID 123447995
Tert-butylsulfinylchloranium
CID 162412882
Chloro 2-methylpropane-2-sulfonate
CID 20446751

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane-2-sulfinyl chloride?
The IUPAC name of 2-methylpropane-2-sulfinyl chloride (CID 4686861) is 2-methylpropane-2-sulfinyl chloride.
What is the SMILES notation for 2-methylpropane-2-sulfinyl chloride?
The canonical SMILES for 2-methylpropane-2-sulfinyl chloride is CC(C)(C)S(=O)Cl.
What is the InChIKey of 2-methylpropane-2-sulfinyl chloride?
The InChIKey is ZLJKQOWJEZSNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9ClOS/c1-4(2,3)7(5)6/h1-3H3.
What are the key properties of 2-methylpropane-2-sulfinyl chloride?
2-methylpropane-2-sulfinyl chloride has a molecular weight of 140.63 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane-2-sulfinyl chloride is sourced from PubChem (CID 4686861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).