methyl propane-2-sulfinate

C4H10O2S — CID 536268

IUPACmethyl propane-2-sulfinate
SMILESCOS(=O)C(C)C
InChIInChI=1S/C4H10O2S/c1-4(2)7(5)6-3/h4H,1-3H3
InChIKeyAOZRDMYNXRQAAI-UHFFFAOYSA-N
MW122.19 g/mol
LogP0.70
Rot. Bonds2

About methyl propane-2-sulfinate

methyl propane-2-sulfinate (PubChem CID 536268) has the molecular formula C4H10O2S and a molecular weight of 122.19 g/mol. Its IUPAC name is methyl propane-2-sulfinate.

Molecular Properties

Compound Namemethyl propane-2-sulfinate
PubChem CID536268
Molecular FormulaC4H10O2S
Molecular Weight122.19 g/mol
Exact Mass122.04
IUPAC Namemethyl propane-2-sulfinate
SMILESCOS(=O)C(C)C
InChIInChI=1S/C4H10O2S/c1-4(2)7(5)6-3/h4H,1-3H3
InChIKeyAOZRDMYNXRQAAI-UHFFFAOYSA-N
XLogP0.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.19
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethanesulfonic acid, methyl ester
CID 15952
Butane-1-sulfonate
CID 3704751
Methyl 2-methylpropane-2-sulfinate
CID 543690
Sodium butane-1-sulfinate
CID 23563922
1-Butanesulfonic acid, methyl ester
CID 142760
1-Propanesulfonic acid, propyl ester
CID 152100
1-Propanesulfonic acid, methyl ester
CID 17602
1-Propanesulfonic acid, ethyl ester
CID 150333
Methyl ethanesulfinate
CID 520525
Methyl propanesulfinate
CID 536502
1-Butanesulfinic acid, methyl ester
CID 6420692
Propylpropanthiosulfonat
CID 22472261

Frequently Asked Questions

What is the IUPAC name of methyl propane-2-sulfinate?
The IUPAC name of methyl propane-2-sulfinate (CID 536268) is methyl propane-2-sulfinate.
What is the SMILES notation for methyl propane-2-sulfinate?
The canonical SMILES for methyl propane-2-sulfinate is COS(=O)C(C)C.
What is the InChIKey of methyl propane-2-sulfinate?
The InChIKey is AOZRDMYNXRQAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2S/c1-4(2)7(5)6-3/h4H,1-3H3.
What are the key properties of methyl propane-2-sulfinate?
methyl propane-2-sulfinate has a molecular weight of 122.19 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl propane-2-sulfinate is sourced from PubChem (CID 536268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).