Dimethyl N-cyanodithioiminocarbonate

C₄H₆N₂S₂CAS 10191-60-3146.23 g/mol

Open in Covalent MOL file

Nitrile Sulfide

Properties

Molecular formula: C₄H₆N₂S₂
Molar mass: 146.23 g/mol
Exact mass: 145.9972 Da
Melting point: 48–52 °C
logP: 1.55Crippen estimate
Polar surface area: 36.1 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed14.3% of notifiers
H302 Harmful if swallowed85.7% of notifiers
H311 Toxic in contact with skin14.3% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H317 May cause an allergic skin reaction10.2% of notifiers
H330 Fatal if inhaled12.2% of notifiers

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P270, P271, P272, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P330, P333+P317, P361+P364, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

10191-60-3

SMILES

CSC(=NC#N)SC

InChIKey

IULFXBLVJIPESI-UHFFFAOYSA-N

InChI

InChI=1S/C4H6N2S2/c1-7-4(8-2)6-3-5/h1-2H3

Weigh it out

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

Names and synonyms

25 names · show all

Carbonimidodithioic acid, N-cyano-, dimethyl ester
Imidocarbonic acid, cyanodithio-, dimethyl ester
Carbonimidodithioic acid, cyano-, dimethyl ester
Dimethyl cyanoiminodithiocarbonate
S,S-Dimethyl (N-cyanoimido)dithiocarbonate
S,S-Dimethyl cyanoiminodithiocarbamate
Dimethyl cyanimidodithiocarbonate
Dimethyl N-cyanoimidodithiocarbonate
(Cyanimino)bis(methylthio)methane
Dimethyl cyanocarbonimidodithioate
Dimethyl cyanodithioimidocarbonate
Dimethyl cyanoimidodithiocarbonate
(Cyanimino)dimethyldithiocarbonate
S,S′-Dimethyl cyanodithioimidocarbonate
Dimethyl N-cyanoiminodithiocarbonate
Dimethyl N-cyanodithioimidocarbonate
Dimethyl N-cyanodithiocarbonimidate
N-[Bis(methylthio)methylene]cyanamide
N-Cyanoiminodithiocarbonic acid dimethyl ester
S,S′-Dimethyl N-cyanodithioiminocarbonate
Dimethyl (N-cyano) carbonimidodithioate
NSC 145987
S,S-Dimethyl cyanoimidodithiocarbonate
Cyanocarbonodithioimidic acid dimethyl ester
[Bis(methylsulfanyl)methylidene](cyano)amine

Work with Dimethyl N-cyanodithioiminocarbonate

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

Methyl N-cyanoacetimidate5652-84-636 % similar 2-[Di(methylthio)methylidene]malononitrile5147-80-835 % similar Ethyl N-cyanoacetimidate1558-82-332 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook