Benzhydryl isothiocyanate
Properties
- Molecular formula
- C14H11NS
- Molar mass
- 225.31 g/mol
- Exact mass
- 225.0612 Da
- logP
- 3.88Crippen estimate
- Polar surface area
- 12.4 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 3
Hazards
Danger
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin100% of notifiers
- H315 Causes skin irritation90.9% of notifiers
- H319 Causes serious eye irritation90.9% of notifiers
- H332 Harmful if inhaled100% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled88.6% of notifiers
- H335 May cause respiratory irritation90.9% of notifiers
Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501
Identifiers
CAS number
3550-21-8SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)N=C=SInChIKey
WDOSFTZMBFYTED-UHFFFAOYSA-NInChI
InChI=1S/C14H11NS/c16-11-15-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14HWeigh it out
Type any one amount. The others follow from the molar mass.
Work with Benzhydryl isothiocyanate
Similar compounds
(1-Isothiocyanatoethyl)benzene32393-32-161 % similar
Phenyl isothiocyanate103-72-044 % similar
Trityl isothiocyanate1726-94-940 % similar
Benzyl isothiocyanate622-78-640 % similar
Phenethyl isothiocyanate2257-09-239 % similar
Chlorodiphenylmethane90-99-338 % similar
3-Phenylpropyl isothiocyanate2627-27-238 % similar
Triphenylmethane519-73-338 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.