19715-56-1
4-phenylthiophenyl isothiocyanate
Name4-phenylthiophenyl isothiocyanate
1Identification
【Name】
4-phenylthiophenyl isothiocyanate
【CAS】
【MDL】
【English Synonyms】
【Formula】
C13H9NS2
【MolWeight】
243.347
【Inchi】
InChI=1S/C13H9NS2/c15-10-14-11-6-8-13(9-7-11)16-12-4-2-1-3-5-12/h1-9H
【InChIKey】
InChIKey=LABPJLAHFIJLNU-UHFFFAOYSA-N
【SMILES】
C1(=CC=CC=C1)SC1=CC=C(C=C1)N=C=S
【MOL File】
4-phenylthiophenyl i….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
4-phenylthiophenyl isothiocyanate.cml