(S)-2-methylpropane-2-sulfinyl chloride

C4H9ClOS — CID 98043154

IUPAC(S)-2-methylpropane-2-sulfinyl chloride
SMILESCC(C)(C)[S@@](=O)Cl
InChIInChI=1S/C4H9ClOS/c1-4(2,3)7(5)6/h1-3H3/t7-/m1/s1
InChIKeyZLJKQOWJEZSNBE-SSDOTTSWSA-N
MW140.63 g/mol
LogP1.69
Rot. Bonds

About (S)-2-methylpropane-2-sulfinyl chloride

(S)-2-methylpropane-2-sulfinyl chloride (PubChem CID 98043154) has the molecular formula C4H9ClOS and a molecular weight of 140.63 g/mol. Its IUPAC name is (S)-2-methylpropane-2-sulfinyl chloride.

Molecular Properties

Compound Name(S)-2-methylpropane-2-sulfinyl chloride
PubChem CID98043154
Molecular FormulaC4H9ClOS
Molecular Weight140.63 g/mol
Exact Mass140.01
IUPAC Name(S)-2-methylpropane-2-sulfinyl chloride
SMILESCC(C)(C)[S@@](=O)Cl
InChIInChI=1S/C4H9ClOS/c1-4(2,3)7(5)6/h1-3H3/t7-/m1/s1
InChIKeyZLJKQOWJEZSNBE-SSDOTTSWSA-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

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Frequently Asked Questions

What is the IUPAC name of (S)-2-methylpropane-2-sulfinyl chloride?
The IUPAC name of (S)-2-methylpropane-2-sulfinyl chloride (CID 98043154) is (S)-2-methylpropane-2-sulfinyl chloride.
What is the SMILES notation for (S)-2-methylpropane-2-sulfinyl chloride?
The canonical SMILES for (S)-2-methylpropane-2-sulfinyl chloride is CC(C)(C)[S@@](=O)Cl.
What is the InChIKey of (S)-2-methylpropane-2-sulfinyl chloride?
The InChIKey is ZLJKQOWJEZSNBE-SSDOTTSWSA-N. The full InChI is InChI=1S/C4H9ClOS/c1-4(2,3)7(5)6/h1-3H3/t7-/m1/s1.
What are the key properties of (S)-2-methylpropane-2-sulfinyl chloride?
(S)-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 (S)-2-methylpropane-2-sulfinyl chloride is sourced from PubChem (CID 98043154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).