86671-69-4
N-(4-METHOXYPHENYL)-N'-(3-ME-5-THIOXO-1,5-DIHYDRO-4H-1,2,4-TRIAZOL-4-YL)THIOUREA
NameN-(4-METHOXYPHENYL)-N'-(3-ME-5-THIOXO-1,5-DIHYDRO-4H-1,2,4-TRIAZOL-4-YL)THIOUREA
1Identification
【Name】
N-(4-METHOXYPHENYL)-N'-(3-ME-5-THIOXO-1,5-DIHYDRO-4H-1,2,4-TRIAZOL-4-YL)THIOUREA
【CAS】
【MDL】
MFCD05154907
【English Synonyms】
【Formula】
C11 H13 N5 O S2
【MolWeight】
295.39
【Inchi】
InChI=1S/C11H13N5OS2/c1-7-13-14-11(19)16(7)15-10(18)12-8-3-5-9(17-2)6-4-8/h3-6H,1-2H3,(H,14,19)(H2,12,15,18)
【InChIKey】
InChIKey=BRQNRZAODJNKGY-UHFFFAOYSA-N
【SMILES】
Cc1n[nH]c(=S)n1NC(=S)Nc2ccc(cc2)OC
【MOL File】
N-(4-METHOXYPHENYL)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(4-METHOXYPHENYL)-N'-(3-ME-5-THIOXO-1,5-DIHYDRO-4H-1,2,4-TRIAZOL-4-YL)THIOUREA.cml