2-[Di(methylthio)methylidene]malononitrile

C₆H₆N₂S₂CAS 5147-80-8170.25 g/mol

Open in Covalent MOL file

Alkene Nitrile Sulfide

Properties

Molecular formula: C₆H₆N₂S₂
Molar mass: 170.25 g/mol
Exact mass: 169.9972 Da
logP: 1.97Crippen estimate
Polar surface area: 47.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed93.9% of notifiers
H312 Harmful in contact with skin12.2% of notifiers
H315 Causes skin irritation16.3% of notifiers
H319 Causes serious eye irritation16.3% of notifiers
H332 Harmful if inhaled12.2% of notifiers
H335 May cause respiratory irritation14.3% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

5147-80-8

SMILES

CSC(=C(C#N)C#N)SC

InChIKey

FICQFRCPSFCFBY-UHFFFAOYSA-N

InChI

InChI=1S/C6H6N2S2/c1-9-6(10-2)5(3-7)4-8/h1-2H3

Weigh it out

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

Names and synonyms

1 names

2-(Bis(methylsulfanyl)methylidene)propanedinitrile

Work with 2-[Di(methylthio)methylidene]malononitrile

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

Tetracyanoethylene670-54-244 % similar Isopropylidenemalononitrile13166-10-441 % similar Tetracyanoquinodimethane1518-16-735 % similar Dimethyl N-cyanodithioiminocarbonate10191-60-335 % similar 2-(1-Ethoxyethylidene)propanedinitrile5417-82-334 % similar 2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane29261-33-432 % similar 2-(1,3-Dioxolan-2-ylidene)propanedinitrile5694-65-531 % similar 4-Dicyanomethylene-2,6-dimethyl-4H-pyran28286-88-630 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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