63059-40-5
7-HYDROXY-5-METHYL-2-(METHYLTHIO)-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLIC ACID
Name7-HYDROXY-5-METHYL-2-(METHYLTHIO)-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLIC ACID
1Identification
【Name】
7-HYDROXY-5-METHYL-2-(METHYLTHIO)-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD18976201
【English Synonyms】
【Formula】
C8 H8 N4 O3 S
【MolWeight】
240.242
【Inchi】
InChI=1S/C8H8N4O3S/c1-3-4(6(14)15)5(13)12-7(9-3)10-8(11-12)16-2/h13H,1-2H3,(H,14,15)
【InChIKey】
InChIKey=NVMOOSHNKGHQEA-UHFFFAOYSA-N
【SMILES】
Cc1c(c(n2c(n1)nc(n2)SC)O)C(=O)O
【MOL File】
7-HYDROXY-5-METHYL-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-HYDROXY-5-METHYL-2-(METHYLTHIO)-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLIC ACID.cml