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Neopentyl Methanthiosulfonate

CAT: 0572-TRC-N389995-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N389995-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
190852-37-0
Hazard Statement
No Data Available
Smiles
CC(C)(C)CSS(=O)(=O)C
Molecular Formula
C6 H14 O2 S2
Molecular Weight
182.3
InChI
InChI=1S/C6H14O2S2/c1-6(2,3)5-9-10(4,7)8/h5H2,1-4H3
Additionnal Information
IUPAC name: 2,2-dimethyl-1-methylsulfonylsulfanylpropane
Shipping Conditions
Room Temperature

Chemical Information

S-(2,2-Dimethylpropyl) methanesulfonothioate
CAS Number190852-37-0
PubChem CID21709864
IUPAC Name2,2-dimethyl-1-methylsulfonylsulfanylpropane
Molecular FormulaC6H14O2S2
Molecular Weight182.3
XLogP1.8
Topological Polar Surface Area67.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count10
Formal Charge0
Complexity181
SMILES
CC(C)(C)CSS(=O)(=O)C
InChI
InChI=1S/C6H14O2S2/c1-6(2,3)5-9-10(4,7)8/h5H2,1-4H3
InChIKey
GEBIUXJESBDRFT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of S-(2,2-Dimethylpropyl) methanesulfonothioate
CAS: 190852-37-0
CID: 21709864
Formula: C6H14O2S2
MW: 182.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.3
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass182.04352203
Monoisotopic Mass182.04352203
Topological Polar Surface Area67.8 Ų
Heavy Atom Count10
Formal Charge0
Complexity181
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-219347Neopentyl Methanthiosulfonate
sc-2173046-Aminohexyl Methanthiosulfonate Hydrobromide
sc-2102825-Aminopentyl Methanthiosulfonate Hydrobromide
OR1055127-01Neopentyl Benzenesulfonate
OR460072-01Neopentyl chloride
OR1099258-01Neopentyl methanesulfonate
RG-E141092-01Neopentyl pivalate
sc-236162Neopentyl chloroformate
OR322097Neopentyl alcohol
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