Methylene bis(thiocyanate)

C₃H₂N₂S₂CAS 6317-18-6130.18 g/mol

Open in Covalent MOL file

Nitrile Sulfide

Properties

Molecular formula: C₃H₂N₂S₂
Molar mass: 130.18 g/mol
Exact mass: 129.9659 Da
Melting point: 105–107 °C
logP: 1.37Crippen estimate
Polar surface area: 47.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowedAcute toxicity, oral
H314 Causes severe skin burns and eye damageSkin corrosion/irritation
H317 May cause an allergic skin reactionSensitization, Skin
H330 Fatal if inhaledAcute toxicity, inhalation
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard

Harmonised EU classification (CLP Annex VI, index 615-020-00-0), via PubChem.

Precautionary statements

P260, P261, P264, P270, P271, P272, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P330, P333+P317, P362+P364, P363, P391, P403+P233, P405, P501

Identifiers

CAS number

6317-18-6

SMILES

N#CSCSC#N

InChIKey

JWZXKXIUSSIAMR-UHFFFAOYSA-N

InChI

InChI=1S/C3H2N2S2/c4-1-6-3-7-2-5/h3H2

Weigh it out

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

Names and synonyms

22 names · show all

Thiocyanic acid, C,C′-methylene ester
Thiocyanic acid, methylene ester
Methylene dithiocyanate
Methylene thiocyanate
Methylenedirhodanide
Nalfloc N 206
Proxel MB
V 709
Kilstain
Slimicide MC
Antiblu 3737
Antiblu 3738
Busan 110
Nalco D 2303
Bis(thiocyanato)methane
Dithiocyanomethane
Basiment 540
Nalco 5793
Metasol T 10
MBT
NSC 40464
WT 307B

Work with Methylene bis(thiocyanate)

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

Chloromethyl thiocyanate3268-79-950 % similar Ethyl thiocyanate542-90-550 % similar Methyl thiocyanate556-64-941 % similar Butyl thiocyanate628-83-141 % similar Tropeolin3012-37-139 % similar Pentyl thiocyanate32446-40-539 % similar TCMTB21564-17-035 % similar 1-(4-Chlorophenyl)-2-thiocyanatoethanone19339-59-431 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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