chempirical

S,S'-Dimethyl dithiocarbonate

C3H6OS2CAS 868-84-8122.20 g/mol

Open in Covalent MOL file
SOS
Sulfide

Properties

Molecular formula
C3H6OS2
Molar mass
122.20 g/mol
Exact mass
121.9860 Da
Density
1.1838 g/mL (at 25 °C)
Melting point
133–135 °C
Boiling point
67–69 °C (at 20 Torr)
logP
1.83Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
868-84-8
SMILES
CSC(=O)SC
InChIKey
IUXMJLLWUTWQFX-UHFFFAOYSA-N
InChI
InChI=1S/C3H6OS2/c1-5-3(4)6-2/h1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

6 names
  • Carbonodithioic acid, S,S-dimethyl ester
  • Carbonic acid, dithio-, S,S-dimethyl ester
  • S,S-Dimethyl dithiocarbonate
  • S,S′-Dimethyldithiocarbonate
  • NSC 227849
  • Dithiocarbonic acid S,S′-dimethyl ester

Work with S,S'-Dimethyl dithiocarbonate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

S-Methyl thioacetate1534-08-344 % similar S-Methyl thiopropionate5925-75-738 % similar S-Methyl butanethioate2432-51-135 % similar S-Methyl 3-methylbutanethioate23747-45-733 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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