57989-76-1
3-THIO-4-AMINO-6-TBUTYL-1,2,4-TRIAZINE-5-ONE
Name
3-THIO-4-AMINO-6-TBUTYL-1,2,4-TRIAZINE-5-ONE
Formula
C7 H12 N4 O S
MolWeight
200.265
1Identification
【Name】
3-THIO-4-AMINO-6-TBUTYL-1,2,4-TRIAZINE-5-ONE
【CAS】
33509-43-2
;57989-76-1
【MDL】
MFCD03826461
【English Synonyms】
【Formula】
C7 H12 N4 O S
【MolWeight】
200.265
【Inchi】
InChI=1S/C7H12N4OS/c1-7(2,3)4-5(12)11(8)6(13)10-9-4/h8H2,1-3H3,(H,10,13)
【InChIKey】
InChIKey=OFKAVNQBCRJBJE-UHFFFAOYSA-N
【SMILES】
CC(C)(C)c1c(=O)n(c(=S)[nH]n1)N
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-THIO-4-AMINO-6-TBUTYL-1,2,4-TRIAZINE-5-ONE.cml
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