117174-79-5
1-BENZOYL-3-(3,5-DIMETHYLPHENYL)THIOUREA
Name1-BENZOYL-3-(3,5-DIMETHYLPHENYL)THIOUREA
1Identification
【Name】
1-BENZOYL-3-(3,5-DIMETHYLPHENYL)THIOUREA
【CAS】
【MDL】
MFCD02631870
【English Synonyms】
【Formula】
C16 H16 N2 O S
【MolWeight】
284.381
【Inchi】
InChI=1S/C16H16N2OS/c1-11-8-12(2)10-14(9-11)17-16(20)18-15(19)13-6-4-3-5-7-13/h3-10H,1-2H3,(H2,17,18,19,20)
【InChIKey】
InChIKey=YAEFVXZQXWJXLF-UHFFFAOYSA-N
【SMILES】
Cc1cc(cc(c1)NC(=S)NC(=O)c2ccccc2)C
【MOL File】
1-BENZOYL-3-(3,5-DIM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-BENZOYL-3-(3,5-DIMETHYLPHENYL)THIOUREA.cml