Methyl thiocyanate
Properties
- Molecular formula
- C2H3NS
- Molar mass
- 73.11 g/mol
- Exact mass
- 72.9986 Da
- Density
- 1.068 g/mL (at 25 °C)
- Melting point
- −51 °C
- Boiling point
- 130–133 °C
- Water solubility
- miscible
- logP
- 0.83Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H226 Flammable liquid and vapor98% of notifiers
- H301 Toxic if swallowed100% of notifiers
- H311 Toxic in contact with skin83.7% of notifiers
- H315 Causes skin irritation10.2% of notifiers
- H319 Causes serious eye irritation87.8% of notifiers
- H330 Fatal if inhaled12.2% of notifiers
- H331 Toxic if inhaled79.6% of notifiers
- H335 May cause respiratory irritation87.8% of notifiers
Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
556-64-9SMILES
CSC#NInChIKey
VYHVQEYOFIYNJP-UHFFFAOYSA-NInChI
InChI=1S/C2H3NS/c1-4-2-3/h1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- Thiocyanic acid, methyl ester
- Methyl sulfocyanate
- NSC 9368
Work with Methyl 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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Ethyl thiocyanate542-90-542 % similar
Methylene bis(thiocyanate)6317-18-641 % similar
Chloromethyl thiocyanate3268-79-935 % similar
Isopropyl thiocyanate625-59-235 % similar
Butyl thiocyanate628-83-135 % similar
Pentyl thiocyanate32446-40-533 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.