338779-17-2
2-(METHYLSULFANYL)-3-PHENYLTHIENO[3,2-D]PYRIMIDIN-4(3H)-ONE
Name2-(METHYLSULFANYL)-3-PHENYLTHIENO[3,2-D]PYRIMIDIN-4(3H)-ONE
1Identification
【Name】
2-(METHYLSULFANYL)-3-PHENYLTHIENO[3,2-D]PYRIMIDIN-4(3H)-ONE
【CAS】
【MDL】
MFCD00140027
【English Synonyms】
【Formula】
C13 H10 N2 O S2
【MolWeight】
274.367
【Inchi】
InChI=1S/C13H10N2OS2/c1-17-13-14-10-7-8-18-11(10)12(16)15(13)9-5-3-2-4-6-9/h2-8H,1H3
【InChIKey】
InChIKey=AJUMTBAVRGSCNB-UHFFFAOYSA-N
【SMILES】
CSc1nc2ccsc2c(=O)n1c3ccccc3
【MOL File】
2-(METHYLSULFANYL)-3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(METHYLSULFANYL)-3-PHENYLTHIENO[3,2-D]PYRIMIDIN-4(3H)-ONE.cml