587012-18-8
2-[(2,6-DICHLOROBENZYL)SULFANYL]-3-ETHYL-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
Name2-[(2,6-DICHLOROBENZYL)SULFANYL]-3-ETHYL-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
FormulaC19 H18 Cl2 N2 O S2
1Identification
【Name】
2-[(2,6-DICHLOROBENZYL)SULFANYL]-3-ETHYL-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
【CAS】
【MDL】
MFCD04034261
【English Synonyms】
【Formula】
C19 H18 Cl2 N2 O S2
【MolWeight】
425.402
【Inchi】
InChI=1S/C19H18Cl2N2OS2/c1-2-23-18(24)16-11-6-3-4-9-15(11)26-17(16)22-19(23)25-10-12-13(20)7-5-8-14(12)21/h5,7-8H,2-4,6,9-10H2,1H3
【InChIKey】
InChIKey=OQZKLTPNRQYCRM-UHFFFAOYSA-N
【SMILES】
CCn1c(=O)c2c3c(sc2nc1SCc4c(cccc4Cl)Cl)CCCC3
【MOL File】
2-[(2,6-DICHLOROBENZ….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[(2,6-DICHLOROBENZYL)SULFANYL]-3-ETHYL-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE.cml