866008-41-5
5-((Z)-(4-(1H-1,2,4-TRIAZOL-1-YL)PHENYL)METHYLIDENE)-1,3-THIAZOLANE-2,4-DIONE
Name5-((Z)-(4-(1H-1,2,4-TRIAZOL-1-YL)PHENYL)METHYLIDENE)-1,3-THIAZOLANE-2,4-DIONE
1Identification
【Name】
5-((Z)-(4-(1H-1,2,4-TRIAZOL-1-YL)PHENYL)METHYLIDENE)-1,3-THIAZOLANE-2,4-DIONE
【CAS】
【MDL】
MFCD05670132
【English Synonyms】
【Formula】
C12 H8 N4 O2 S
【MolWeight】
272.287
【Inchi】
InChI=1S/C12H8N4O2S/c17-11-10(19-12(18)15-11)5-8-1-3-9(4-2-8)16-7-13-6-14-16/h1-7H,(H,15,17,18)/b10-5-
【InChIKey】
InChIKey=PIDMTSLWEQCJKK-YHYXMXQVSA-N
【SMILES】
c1cc(ccc1/C=C\2/C(=O)NC(=O)S2)n3cncn3
【MOL File】
5-((Z)-(4-(1H-1,2,4-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-((Z)-(4-(1H-1,2,4-TRIAZOL-1-YL)PHENYL)METHYLIDENE)-1,3-THIAZOLANE-2,4-DIONE.cml