86671-68-3
N-(2-METHYLPHENYL)-N'-(3-ME-5-THIOXO-1,5-DIHYDRO-4H-1,2,4-TRIAZOL-4-YL)THIOUREA
NameN-(2-METHYLPHENYL)-N'-(3-ME-5-THIOXO-1,5-DIHYDRO-4H-1,2,4-TRIAZOL-4-YL)THIOUREA
1Identification
【Name】
N-(2-METHYLPHENYL)-N'-(3-ME-5-THIOXO-1,5-DIHYDRO-4H-1,2,4-TRIAZOL-4-YL)THIOUREA
【CAS】
【MDL】
MFCD05154901
【English Synonyms】
【Formula】
C11 H13 N5 S2
【MolWeight】
279.391
【Inchi】
InChI=1S/C11H13N5S2/c1-7-5-3-4-6-9(7)12-10(17)15-16-8(2)13-14-11(16)18/h3-6H,1-2H3,(H,14,18)(H2,12,15,17)
【InChIKey】
InChIKey=YRWMMPAJXUEPQM-UHFFFAOYSA-N
【SMILES】
Cc1ccccc1NC(=S)Nn2c(n[nH]c2=S)C
【MOL File】
N-(2-METHYLPHENYL)-N….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(2-METHYLPHENYL)-N'-(3-ME-5-THIOXO-1,5-DIHYDRO-4H-1,2,4-TRIAZOL-4-YL)THIOUREA.cml