2-methylpropane-1-sulfinyl chloride

C4H9ClOS — CID 15262188

IUPAC2-methylpropane-1-sulfinyl chloride
SMILESCC(C)CS(=O)Cl
InChIInChI=1S/C4H9ClOS/c1-4(2)3-7(5)6/h4H,3H2,1-2H3
InChIKeyBFDUPJOIMXDACJ-UHFFFAOYSA-N
MW140.63 g/mol
LogP1.54
Rot. Bonds2

About 2-methylpropane-1-sulfinyl chloride

2-methylpropane-1-sulfinyl chloride (PubChem CID 15262188) has the molecular formula C4H9ClOS and a molecular weight of 140.63 g/mol. Its IUPAC name is 2-methylpropane-1-sulfinyl chloride.

Molecular Properties

Compound Name2-methylpropane-1-sulfinyl chloride
PubChem CID15262188
Molecular FormulaC4H9ClOS
Molecular Weight140.63 g/mol
Exact Mass140.01
IUPAC Name2-methylpropane-1-sulfinyl chloride
SMILESCC(C)CS(=O)Cl
InChIInChI=1S/C4H9ClOS/c1-4(2)3-7(5)6/h4H,3H2,1-2H3
InChIKeyBFDUPJOIMXDACJ-UHFFFAOYSA-N
XLogP1.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.63
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropane-1-sulfinyl chloride?
The IUPAC name of 2-methylpropane-1-sulfinyl chloride (CID 15262188) is 2-methylpropane-1-sulfinyl chloride.
What is the SMILES notation for 2-methylpropane-1-sulfinyl chloride?
The canonical SMILES for 2-methylpropane-1-sulfinyl chloride is CC(C)CS(=O)Cl.
What is the InChIKey of 2-methylpropane-1-sulfinyl chloride?
The InChIKey is BFDUPJOIMXDACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9ClOS/c1-4(2)3-7(5)6/h4H,3H2,1-2H3.
What are the key properties of 2-methylpropane-1-sulfinyl chloride?
2-methylpropane-1-sulfinyl chloride has a molecular weight of 140.63 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane-1-sulfinyl chloride is sourced from PubChem (CID 15262188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).