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Methyl 2-Methylpropane-2-sulfinate

CAT: 0572-TRC-M355825-750MGSize: 750 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M355825-750MGSize:750 mg
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CAS Number
52056-71-0
Hazard Statement
No Data Available
Smiles
COS(=O)C(C)(C)C
Molecular Formula
C5 H12 O2 S
Molecular Weight
136.213
InChI
InChI=1S/C5H12O2S/c1-5(2,3)8(6)7-4/h1-4H3
Additionnal Information
IUPAC name: methyl 2-methylpropane-2-sulfinate
Shipping Conditions
Room Temperature

Chemical Information

Methyl 2-methylpropane-2-sulfinate
CAS Number52056-71-0
PubChem CID543690
IUPAC Namemethyl 2-methylpropane-2-sulfinate
Molecular FormulaC5H12O2S
Molecular Weight136.21
XLogP0.7
Topological Polar Surface Area45.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity93
SMILES
CC(C)(C)S(=O)OC
InChI
InChI=1S/C5H12O2S/c1-5(2,3)8(6)7-4/h1-4H3
InChIKey
UDOZDJCVDZEJAT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2-methylpropane-2-sulfinate
CAS: 52056-71-0
CID: 543690
Formula: C5H12O2S
MW: 136.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight136.21
XLogP30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass136.05580079
Monoisotopic Mass136.05580079
Topological Polar Surface Area45.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity93.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CCA05671-01Methyl 2-methylpropane-2-sulfinate
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DBA28833-013-[ (2-Methylpropane-2-sulfinyl) methyl]aniline
DWB19906-014-[ (2-Methylpropane-2-sulfonyl) methyl]aniline
OR1008542-01(R) -N- ((S) - (2- (Diphenylphosphanyl) Phenyl) (Phenyl) Methyl) -2-Methylpropane-2-Sulfinamide Phenyl) (Phenyl) Methyl) -2- Methylpropane-2-Sulfinamide
UDD42974-016-[ (2-Methylpropane-2-sulfonyl) methyl]pyridine-2-carboxylic acid
XLD47145-016-methyl-1,3-benzothiazole-2-sulfinate lithium
XLD15405-012-methyl-1,3-thiazole-4-sulfinate lithium
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