50336-06-6
[1,2,4]TRIAZINO[4,5-A]INDOLE-1(2H)-THIONE
Name[1,2,4]TRIAZINO[4,5-A]INDOLE-1(2H)-THIONE
1Identification
【Name】
[1,2,4]TRIAZINO[4,5-A]INDOLE-1(2H)-THIONE
【CAS】
【MDL】
MFCD09754010
【English Synonyms】
【Formula】
C10 H7 N3 S
【MolWeight】
201.252
【Inchi】
InChI=1S/C10H7N3S/c14-10-9-5-7-3-1-2-4-8(7)13(9)6-11-12-10/h1-6H,(H,12,14)
【InChIKey】
InChIKey=QAFLBGBKWPBYPH-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)cc3n2cn[nH]c3=S
【MOL File】
[1,2,4]TRIAZINO[4,5-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
[1,2,4]TRIAZINO[4,5-A]INDOLE-1(2H)-THIONE.cml