methyl 2-methylpropane-2-sulfinate

C5H12O2S — CID 543690

IUPACmethyl 2-methylpropane-2-sulfinate
SMILESCOS(=O)C(C)(C)C
InChIInChI=1S/C5H12O2S/c1-5(2,3)8(6)7-4/h1-4H3
InChIKeyUDOZDJCVDZEJAT-UHFFFAOYSA-N
MW136.22 g/mol
LogP1.10
Rot. Bonds1

About methyl 2-methylpropane-2-sulfinate

methyl 2-methylpropane-2-sulfinate (PubChem CID 543690) has the molecular formula C5H12O2S and a molecular weight of 136.22 g/mol. Its IUPAC name is methyl 2-methylpropane-2-sulfinate.

Molecular Properties

Compound Namemethyl 2-methylpropane-2-sulfinate
PubChem CID543690
Molecular FormulaC5H12O2S
Molecular Weight136.22 g/mol
Exact Mass136.06
IUPAC Namemethyl 2-methylpropane-2-sulfinate
SMILESCOS(=O)C(C)(C)C
InChIInChI=1S/C5H12O2S/c1-5(2,3)8(6)7-4/h1-4H3
InChIKeyUDOZDJCVDZEJAT-UHFFFAOYSA-N
XLogP1.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.22
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methylpropane-2-sulfinate?
The IUPAC name of methyl 2-methylpropane-2-sulfinate (CID 543690) is methyl 2-methylpropane-2-sulfinate.
What is the SMILES notation for methyl 2-methylpropane-2-sulfinate?
The canonical SMILES for methyl 2-methylpropane-2-sulfinate is COS(=O)C(C)(C)C.
What is the InChIKey of methyl 2-methylpropane-2-sulfinate?
The InChIKey is UDOZDJCVDZEJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2S/c1-5(2,3)8(6)7-4/h1-4H3.
What are the key properties of methyl 2-methylpropane-2-sulfinate?
methyl 2-methylpropane-2-sulfinate has a molecular weight of 136.22 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylpropane-2-sulfinate is sourced from PubChem (CID 543690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).