7271-92-3
3-ETHYLSULFANYL-5H-PYRIMIDO(4,5-E)(1,2,4)TRIAZINE-6,8-DIONE
Name3-ETHYLSULFANYL-5H-PYRIMIDO(4,5-E)(1,2,4)TRIAZINE-6,8-DIONE
1Identification
【Name】
3-ETHYLSULFANYL-5H-PYRIMIDO(4,5-E)(1,2,4)TRIAZINE-6,8-DIONE
【CAS】
【MDL】
MFCD00196762
【English Synonyms】
【Formula】
C7 H7 N5 O2 S
【MolWeight】
225.231
【Inchi】
InChI=1S/C7H7N5O2S/c1-2-15-7-9-4-3(11-12-7)5(13)10-6(14)8-4/h2H2,1H3,(H2,8,9,10,12,13,14)
【InChIKey】
InChIKey=WXWKJZYWQWDKEB-UHFFFAOYSA-N
【SMILES】
CCSc1nc2c(c(=O)[nH]c(=O)[nH]2)nn1
【MOL File】
3-ETHYLSULFANYL-5H-P….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-ETHYLSULFANYL-5H-PYRIMIDO(4,5-E)(1,2,4)TRIAZINE-6,8-DIONE.cml