885459-45-0
2-([(4-BROMOPHENYL)THIO]METHYL)-4-CHLORO-7-METHYL-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDINE
Name2-([(4-BROMOPHENYL)THIO]METHYL)-4-CHLORO-7-METHYL-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDINE
FormulaC18 H16 Br Cl N2 S2
1Identification
【Name】
2-([(4-BROMOPHENYL)THIO]METHYL)-4-CHLORO-7-METHYL-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDINE
【CAS】
【MDL】
MFCD06660677
【English Synonyms】
【Formula】
C18 H16 Br Cl N2 S2
【MolWeight】
439.827
【Inchi】
InChI=1S/C18H16BrClN2S2/c1-10-2-7-13-14(8-10)24-18-16(13)17(20)21-15(22-18)9-23-12-5-3-11(19)4-6-12/h3-6,10H,2,7-9H2,1H3
【InChIKey】
InChIKey=YWSZVLSMCGALIJ-UHFFFAOYSA-N
【SMILES】
CC1CCc2c(sc3c2c(nc(n3)CSc4ccc(cc4)Br)Cl)C1
【MOL File】
2-([(4-BROMOPHENYL)T….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-([(4-BROMOPHENYL)THIO]METHYL)-4-CHLORO-7-METHYL-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDINE.cml