Ethyl thiocyanate
Properties
- Molecular formula
- C3H5NS
- Molar mass
- 87.14 g/mol
- Exact mass
- 87.0143 Da
- Density
- 1.0071 g/mL (at 23 °C)
- Melting point
- −85.5 °C
- Boiling point
- 146 °C
- Water solubility
- miscible
- logP
- 1.22Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
- H302 Harmful if swallowed97.8% of notifiers
- H312 Harmful in contact with skin97.8% of notifiers
- H315 Causes skin irritation91.1% of notifiers
- H319 Causes serious eye irritation91.1% of notifiers
- H332 Harmful if inhaled97.8% of notifiers
- H335 May cause respiratory irritation88.9% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
542-90-5SMILES
CCSC#NInChIKey
WFCLYEAZTHWNEH-UHFFFAOYSA-NInChI
InChI=1S/C3H5NS/c1-2-5-3-4/h2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- Thiocyanic acid, ethyl ester
- Ethyl sulfocyanate
- NSC 8827
Work with Ethyl 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
Methylene bis(thiocyanate)6317-18-650 % similar
Butyl thiocyanate628-83-148 % similar
Pentyl thiocyanate32446-40-546 % similar
Chloromethyl thiocyanate3268-79-943 % similar
Methyl thiocyanate556-64-942 % similar
3-(Triethoxysilyl)propyl thiocyanate34708-08-235 % similar
Tropeolin3012-37-135 % similar
Diethyl disulfide110-81-633 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.