Trityl isothiocyanate
Properties
- Molecular formula
- C20H15NS
- Molar mass
- 301.41 g/mol
- Exact mass
- 301.0925 Da
- logP
- 5.08Crippen estimate
- Polar surface area
- 12.4 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 4
Hazards
Danger
- H302 Harmful if swallowed97.7% of notifiers
- H312 Harmful in contact with skin97.7% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled97.7% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled88.6% of notifiers
- H335 May cause respiratory irritation100% 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
1726-94-9SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N=C=SInChIKey
ZPZHAUXTGFNYTN-UHFFFAOYSA-NInChI
InChI=1S/C20H15NS/c22-16-21-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15HWeigh it out
Type any one amount. The others follow from the molar mass.
Work with Trityl isothiocyanate
Similar compounds
Phenyl isothiocyanate103-72-044 % similar
Phenethyl isothiocyanate2257-09-243 % similar
3-Phenylpropyl isothiocyanate2627-27-242 % similar
3-(Trifluoromethyl)phenyl isothiocyanate1840-19-340 % similar
Benzhydryl isothiocyanate3550-21-840 % similar
Benzyl isothiocyanate622-78-640 % similar
Benzoyl isothiocyanate532-55-838 % similar
Tetraphenylmethane630-76-238 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.