65331-17-1
4-PHENYL-3,4,5,6,7,8-HEXAHYDROQUINAZOLINE-2(1H)-THIONE
Name4-PHENYL-3,4,5,6,7,8-HEXAHYDROQUINAZOLINE-2(1H)-THIONE
1Identification
【Name】
4-PHENYL-3,4,5,6,7,8-HEXAHYDROQUINAZOLINE-2(1H)-THIONE
【CAS】
【MDL】
MFCD01103814
【English Synonyms】
【Formula】
C14 H16 N2 S
【MolWeight】
244.36
【Inchi】
InChI=1S/C14H16N2S/c17-14-15-12-9-5-4-8-11(12)13(16-14)10-6-2-1-3-7-10/h1-3,6-7,13H,4-5,8-9H2,(H2,15,16,17)
【InChIKey】
InChIKey=LQBGWDJYLPXCMK-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)C2C3=C(CCCC3)NC(=S)N2
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-PHENYL-3,4,5,6,7,8-HEXAHYDROQUINAZOLINE-2(1H)-THIONE.cml