propane-2-sulfinyl chloride

C3H7ClOS — CID 10931447

IUPACpropane-2-sulfinyl chloride
SMILESCC(C)S(=O)Cl
InChIInChI=1S/C3H7ClOS/c1-3(2)6(4)5/h3H,1-2H3
InChIKeyOQATUBOUVJHZOK-UHFFFAOYSA-N
MW126.61 g/mol
LogP1.30
Rot. Bonds1

About propane-2-sulfinyl chloride

propane-2-sulfinyl chloride (PubChem CID 10931447) has the molecular formula C3H7ClOS and a molecular weight of 126.61 g/mol. Its IUPAC name is propane-2-sulfinyl chloride.

Molecular Properties

Compound Namepropane-2-sulfinyl chloride
PubChem CID10931447
Molecular FormulaC3H7ClOS
Molecular Weight126.61 g/mol
Exact Mass125.99
IUPAC Namepropane-2-sulfinyl chloride
SMILESCC(C)S(=O)Cl
InChIInChI=1S/C3H7ClOS/c1-3(2)6(4)5/h3H,1-2H3
InChIKeyOQATUBOUVJHZOK-UHFFFAOYSA-N
XLogP1.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.61
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of propane-2-sulfinyl chloride?
The IUPAC name of propane-2-sulfinyl chloride (CID 10931447) is propane-2-sulfinyl chloride.
What is the SMILES notation for propane-2-sulfinyl chloride?
The canonical SMILES for propane-2-sulfinyl chloride is CC(C)S(=O)Cl.
What is the InChIKey of propane-2-sulfinyl chloride?
The InChIKey is OQATUBOUVJHZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7ClOS/c1-3(2)6(4)5/h3H,1-2H3.
What are the key properties of propane-2-sulfinyl chloride?
propane-2-sulfinyl chloride has a molecular weight of 126.61 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propane-2-sulfinyl chloride is sourced from PubChem (CID 10931447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).