propan-2-yl propane-2-sulfinate

C6H14O2S — CID 6420316

IUPACpropan-2-yl propane-2-sulfinate
SMILESCC(C)OS(=O)C(C)C
InChIInChI=1S/C6H14O2S/c1-5(2)8-9(7)6(3)4/h5-6H,1-4H3
InChIKeyINCZSCOTTHWNFS-UHFFFAOYSA-N
MW150.24 g/mol
LogP1.48
Rot. Bonds3

About propan-2-yl propane-2-sulfinate

propan-2-yl propane-2-sulfinate (PubChem CID 6420316) has the molecular formula C6H14O2S and a molecular weight of 150.24 g/mol. Its IUPAC name is propan-2-yl propane-2-sulfinate.

Molecular Properties

Compound Namepropan-2-yl propane-2-sulfinate
PubChem CID6420316
Molecular FormulaC6H14O2S
Molecular Weight150.24 g/mol
Exact Mass150.07
IUPAC Namepropan-2-yl propane-2-sulfinate
SMILESCC(C)OS(=O)C(C)C
InChIInChI=1S/C6H14O2S/c1-5(2)8-9(7)6(3)4/h5-6H,1-4H3
InChIKeyINCZSCOTTHWNFS-UHFFFAOYSA-N
XLogP1.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.24
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze propan-2-yl propane-2-sulfinate 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 propan-2-yl propane-2-sulfinate?
The IUPAC name of propan-2-yl propane-2-sulfinate (CID 6420316) is propan-2-yl propane-2-sulfinate.
What is the SMILES notation for propan-2-yl propane-2-sulfinate?
The canonical SMILES for propan-2-yl propane-2-sulfinate is CC(C)OS(=O)C(C)C.
What is the InChIKey of propan-2-yl propane-2-sulfinate?
The InChIKey is INCZSCOTTHWNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2S/c1-5(2)8-9(7)6(3)4/h5-6H,1-4H3.
What are the key properties of propan-2-yl propane-2-sulfinate?
propan-2-yl propane-2-sulfinate has a molecular weight of 150.24 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl propane-2-sulfinate is sourced from PubChem (CID 6420316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).