743445-03-6
2-(CHLOROMETHYL)-3-(2-OXOPROPYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
Name2-(CHLOROMETHYL)-3-(2-OXOPROPYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
FormulaC14 H15 Cl N2 O2 S
1Identification
【Name】
2-(CHLOROMETHYL)-3-(2-OXOPROPYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
【CAS】
【MDL】
MFCD05263263
【English Synonyms】
【Formula】
C14 H15 Cl N2 O2 S
【MolWeight】
310.803
【Inchi】
InChI=1S/C14H15ClN2O2S/c1-8(18)7-17-11(6-15)16-13-12(14(17)19)9-4-2-3-5-10(9)20-13/h2-7H2,1H3
【InChIKey】
InChIKey=IBDXLMKQAFNDIH-UHFFFAOYSA-N
【SMILES】
CC(=O)Cn1c(nc2c(c1=O)c3c(s2)CCCC3)CCl
【MOL File】
2-(CHLOROMETHYL)-3-(….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(CHLOROMETHYL)-3-(2-OXOPROPYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE.cml