chempirical

Trityl isothiocyanate

C20H15NSCAS 1726-94-9301.41 g/mol

Open in Covalent MOL file
NS
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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
1726-94-9
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N=C=S
InChIKey
ZPZHAUXTGFNYTN-UHFFFAOYSA-N
InChI
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/h1-15H

Weigh it out

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

Work with Trityl isothiocyanate

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

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. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook