chempirical

2-Biphenyl isothiocyanate

C13H9NSCAS 19394-61-7211.28 g/mol

Open in Covalent MOL file
NS
Isothiocyanate

Properties

Molecular formula
C13H9NS
Molar mass
211.28 g/mol
Exact mass
211.0456 Da
logP
4.09Crippen estimate
Polar surface area
12.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

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
19394-61-7
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2N=C=S
InChIKey
OAYSYSIGKCDBKZ-UHFFFAOYSA-N
InChI
InChI=1S/C13H9NS/c15-10-14-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9H

Weigh it out

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

Names and synonyms

1 names
  • 1-Isothiocyanato-2-phenylbenzene

Work with 2-Biphenyl 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

2-Biphenyl isocyanate17337-13-260 % similar Phenyl isothiocyanate103-72-056 % similar 1-Bromo-2-isothiocyanatobenzene13037-60-053 % similar 2-Chlorophenyl isothiocyanate2740-81-052 % similar 2-Fluorophenyl isothiocyanate38985-64-752 % similar 2-Methylphenyl isothiocyanate614-69-752 % similar 1-Naphthyl isothiocyanate551-06-450 % similar 2-(Trifluoromethyl)phenyl isothiocyanate1743-86-847 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Phenylbenzothiazole883-93-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook