methyl 2-methylbutane-2-sulfinate

C6H14O2S — CID 134928940

IUPACmethyl 2-methylbutane-2-sulfinate
SMILESCCC(C)(C)S(=O)OC
InChIInChI=1S/C6H14O2S/c1-5-6(2,3)9(7)8-4/h5H2,1-4H3
InChIKeyVGMLFSKCXGDYRD-UHFFFAOYSA-N
MW150.24 g/mol
LogP1.49
Rot. Bonds3

About methyl 2-methylbutane-2-sulfinate

methyl 2-methylbutane-2-sulfinate (PubChem CID 134928940) has the molecular formula C6H14O2S and a molecular weight of 150.24 g/mol. Its IUPAC name is methyl 2-methylbutane-2-sulfinate.

Molecular Properties

Compound Namemethyl 2-methylbutane-2-sulfinate
PubChem CID134928940
Molecular FormulaC6H14O2S
Molecular Weight150.24 g/mol
Exact Mass150.07
IUPAC Namemethyl 2-methylbutane-2-sulfinate
SMILESCCC(C)(C)S(=O)OC
InChIInChI=1S/C6H14O2S/c1-5-6(2,3)9(7)8-4/h5H2,1-4H3
InChIKeyVGMLFSKCXGDYRD-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(2-methylbutan-2-ylsulfinyl)pentane
CID 88562947
methoxy-(2-methylbutan-2-yl)-oxophosphanium
CID 59746139
azane;methyl 2-methylbutan-2-yl sulfate
CID 174528913
2-methoxy-2-methylpropane;thionyl dichloride
CID 87282142
CID 174084849
CID 174084849
3-ethyl-2,2-dimethylpentane-3-sulfinate
CID 57421679
ethane;methyl methanesulfinate
CID 90810539
methyl 3-chlorosulfinyl-2,2-dimethylpropanoate
CID 165452595
2-methoxybutan-2-amine
CID 21116415
(R)-3-ethylpentane-3-sulfinamide
CID 11159499
2-methyl-2-methylsulfinylhexane
CID 89314102
2,2-dimethylpropyl ethanesulfinate
CID 71393635

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylbutane-2-sulfinate?
The IUPAC name of methyl 2-methylbutane-2-sulfinate (CID 134928940) is methyl 2-methylbutane-2-sulfinate.
What is the SMILES notation for methyl 2-methylbutane-2-sulfinate?
The canonical SMILES for methyl 2-methylbutane-2-sulfinate is CCC(C)(C)S(=O)OC.
What is the InChIKey of methyl 2-methylbutane-2-sulfinate?
The InChIKey is VGMLFSKCXGDYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2S/c1-5-6(2,3)9(7)8-4/h5H2,1-4H3.
What are the key properties of methyl 2-methylbutane-2-sulfinate?
methyl 2-methylbutane-2-sulfinate has a molecular weight of 150.24 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylbutane-2-sulfinate is sourced from PubChem (CID 134928940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).