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Hexadecyl Methanethiosulfonate

CAT: 0024-sc-215144Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-215144Size:50 mg
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CAS Number
7559-47-9

Chemical Information

Methanesulfonic acid, thio-, S-hexadecyl ester
CAS Number7559-47-9
PubChem CID97458
IUPAC Name1-methylsulfonylsulfanylhexadecane
Molecular FormulaC17H36O2S2
Molecular Weight336.6
XLogP7.8
Topological Polar Surface Area67.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count16
Heavy Atom Count21
Formal Charge0
Complexity294
SMILES
CCCCCCCCCCCCCCCCSS(=O)(=O)C
InChI
InChI=1S/C17H36O2S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21(2,18)19/h3-17H2,1-2H3
InChIKey
GIJWOCGDZZKJAD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methanesulfonic acid, thio-, S-hexadecyl ester
CAS: 7559-47-9
CID: 97458
Formula: C17H36O2S2
MW: 336.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.6
XLogP37.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count16
Exact Mass336.21567273
Monoisotopic Mass336.21567273
Topological Polar Surface Area67.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity294
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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CatalogName
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sc-214592Benzyl Methanethiosulfonate
sc-217946Colchicine Methanethiosulfonate
sc-211020Carboxymethyl Methanethiosulfonate
sc-211882AMethyl Methanethiosulfonate

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CatalogName
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T84280-01Hexadecyl tetradecanoate
278695-01Hexadecyl isocyanate
TRC-H290072-500MGHexadecyl Acetate
TRC-H293800-1GHexadecyl Methacrylate
OR1077946Hexadecyl Ether
OR1013490-01Hexadecyl Acrylate
OR1013491-01Hexadecyl Chloroformate
BA7204-1Hexadecyl-CoA

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