5399-43-9
6-METHYL-1-PHENYL-1,5-DIHYDRO-4H-PYRAZOLO[3,4-D]PYRIMIDINE-4-THIONE
Name
6-METHYL-1-PHENYL-1,5-DIHYDRO-4H-PYRAZOLO[3,4-D]PYRIMIDINE-4-THIONE
Formula
C12 H10 N4 S
MolWeight
242.305
1Identification
【Name】
6-METHYL-1-PHENYL-1,5-DIHYDRO-4H-PYRAZOLO[3,4-D]PYRIMIDINE-4-THIONE
【CAS】
【MDL】
MFCD01847773
【English Synonyms】
【Formula】
C12 H10 N4 S
【MolWeight】
242.305
【Inchi】
InChI=1S/C12H10N4S/c1-8-14-11-10(12(17)15-8)7-13-16(11)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15,17)
【InChIKey】
InChIKey=QFKKQRAXWCUWTD-UHFFFAOYSA-N
【SMILES】
Cc1[nH]c(=S)c2cnn(c2n1)c3ccccc3
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-METHYL-1-PHENYL-1,5-DIHYDRO-4H-PYRAZOLO[3,4-D]PYRIMIDINE-4-THIONE.cml
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Country/Region:Ukraine
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