52617-72-8
3,5-DIHYDRO-2-METHYL-6-PHENYL-4H-PYRROLO[3,2-D]PYRIMIDINE-4-THIONE
Name3,5-DIHYDRO-2-METHYL-6-PHENYL-4H-PYRROLO[3,2-D]PYRIMIDINE-4-THIONE
1Identification
【Name】
3,5-DIHYDRO-2-METHYL-6-PHENYL-4H-PYRROLO[3,2-D]PYRIMIDINE-4-THIONE
【CAS】
【MDL】
MFCD17018632
【English Synonyms】
【Formula】
C13 H11 N3 S
【MolWeight】
241.317
【Inchi】
InChI=1S/C13H11N3S/c1-8-14-11-7-10(9-5-3-2-4-6-9)16-12(11)13(17)15-8/h2-7,16H,1H3,(H,14,15,17)
【InChIKey】
InChIKey=CDQYUUPZJZGSOR-UHFFFAOYSA-N
【SMILES】
Cc1[nH]c(=S)c2c(n1)cc([nH]2)c3ccccc3
【MOL File】
3,5-DIHYDRO-2-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,5-DIHYDRO-2-METHYL-6-PHENYL-4H-PYRROLO[3,2-D]PYRIMIDINE-4-THIONE.cml