141622-32-4
5-METHYL-3-PHENYL-2-THIOXO-2,3-DIHYDRO[1,3]THIAZOLO[4,5-D]PYRIMIDIN-7(6H)-ONE
Name5-METHYL-3-PHENYL-2-THIOXO-2,3-DIHYDRO[1,3]THIAZOLO[4,5-D]PYRIMIDIN-7(6H)-ONE
1Identification
【Name】
5-METHYL-3-PHENYL-2-THIOXO-2,3-DIHYDRO[1,3]THIAZOLO[4,5-D]PYRIMIDIN-7(6H)-ONE
【CAS】
【MDL】
MFCD02679236
【English Synonyms】
【Formula】
C12 H9 N3 O S2
【MolWeight】
275.355
【Inchi】
InChI=1S/C12H9N3OS2/c1-7-13-10-9(11(16)14-7)18-12(17)15(10)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14,16)
【InChIKey】
InChIKey=SBNWDVUYFCQHKQ-UHFFFAOYSA-N
【SMILES】
Cc1[nH]c(=O)c2c(n1)n(c(=S)s2)c3ccccc3
【MOL File】
5-METHYL-3-PHENYL-2-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-METHYL-3-PHENYL-2-THIOXO-2,3-DIHYDRO[1,3]THIAZOLO[4,5-D]PYRIMIDIN-7(6H)-ONE.cml