796067-65-7
2-([(4-BROMOPHENYL)THIO]METHYL)-4-CHLORO-5,6-DIMETHYLTHIENO[2,3-D]PYRIMIDINE
Name2-([(4-BROMOPHENYL)THIO]METHYL)-4-CHLORO-5,6-DIMETHYLTHIENO[2,3-D]PYRIMIDINE
pro_formulaC15 H12 Br Cl N2 S2
1Identification
【Name】
2-([(4-BROMOPHENYL)THIO]METHYL)-4-CHLORO-5,6-DIMETHYLTHIENO[2,3-D]PYRIMIDINE
【CAS】
【MDL】
MFCD06370795
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C15 H12 Br Cl N2 S2
【pro_molWeight】
399.763
【Inchi】
InChI=1S/C15H12BrClN2S2/c1-8-9(2)21-15-13(8)14(17)18-12(19-15)7-20-11-5-3-10(16)4-6-11/h3-6H,7H2,1-2H3
【InChIKey】
InChIKey=VBPCFSSPZAEORP-UHFFFAOYSA-N
【SMILES】
Cc1c(sc2c1c(nc(n2)CSc3ccc(cc3)Br)Cl)C
【MOL File】
2-([(4-BROMOPHENYL)T….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:2
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-([(4-BROMOPHENYL)THIO]METHYL)-4-CHLORO-5,6-DIMETHYLTHIENO[2,3-D]PYRIMIDINE.cml