91184-07-5
3-MERCAPTO-5-METHYL-8H-[1,2,4]TRIAZOLO[4,3-A]PYRIMIDIN-7-ONE
Name3-MERCAPTO-5-METHYL-8H-[1,2,4]TRIAZOLO[4,3-A]PYRIMIDIN-7-ONE
1Identification
【Name】
3-MERCAPTO-5-METHYL-8H-[1,2,4]TRIAZOLO[4,3-A]PYRIMIDIN-7-ONE
【CAS】
【MDL】
MFCD01848715
【English Synonyms】
【Formula】
C6 H6 N4 O S
【MolWeight】
182.206
【Inchi】
InChI=1S/C6H6N4OS/c1-3-2-4(11)7-5-8-9-6(12)10(3)5/h2H,1H3,(H,9,12)(H,7,8,11)
【InChIKey】
InChIKey=HCODANNGUOSOCH-UHFFFAOYSA-N
【SMILES】
Cc1cc(=O)[nH]c2n1c(nn2)S
【MOL File】
3-MERCAPTO-5-METHYL-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-MERCAPTO-5-METHYL-8H-[1,2,4]TRIAZOLO[4,3-A]PYRIMIDIN-7-ONE.cml