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Dimethyl-d6 Trisulfide

CAT: 0024-sc-497454Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-497454Size:5 mg
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CAS Number
58069-93-5

Chemical Information

Dimethyl-d6 Trisulfide
CAS Number58069-93-5
PubChem CID71777192
IUPAC Nametrideuterio-(trideuteriomethyltrisulfanyl)methane
Molecular FormulaC2H6S3
Molecular Weight132.3
XLogP1.3
Topological Polar Surface Area75.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count5
Formal Charge0
Complexity12
SMILES
[2H]C([2H])([2H])SSSC([2H])([2H])[2H]
InChI
InChI=1S/C2H6S3/c1-3-5-4-2/h1-2H3/i1D3,2D3
InChIKey
YWHLKYXPLRWGSE-WFGJKAKNSA-N
Chemical Structure
2D Structure
2D structure of Dimethyl-d6 Trisulfide
CAS: 58069-93-5
CID: 71777192
Formula: C2H6S3
MW: 132.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight132.3
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass132.00082419
Monoisotopic Mass132.00082419
Topological Polar Surface Area75.9 Ų
Heavy Atom Count5
Formal Charge0
Complexity12.4
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes