1114635-90-3 ((5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-6-methyl-3-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one)

CAS号:
1114635-90-3
英文名称:
5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-6-methyl-3-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
分子式:
C19H13ClFN3OS3
分子量:
449.972422361374

5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-6-methyl-3-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one(1114635-90-3)名称与标识符

名称

英文别名:
5-[[(2-Chloro-6-fluorophenyl)methyl]thio]-2,3-dihydro-6-methyl-3-phenyl-2-thioxothiazolo[4,5-d]pyrimidin-7(6H)-one;5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-6-methyl-3-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one;

标识符

InChIKey:
BHUQNPFBAQERQO-UHFFFAOYSA-N
Inchi:
1S/C19H13ClFN3OS3/c1-23-17(25)15-16(24(19(26)28-15)11-6-3-2-4-7-11)22-18(23)27-10-12-13(20)8-5-9-14(12)21/h2-9H,10H2,1H3
SMILES:
C1(SCC2=C(F)C=CC=C2Cl)N(C)C(=O)C2SC(=S)N(C3=CC=CC=C3)C=2N=1

5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-6-methyl-3-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one(1114635-90-3)物化性质

实验特性

  • 沸点 : 552.2±60.0 °C(Predicted)
  • 酸度系数(pKa) : -2.99±0.20(Predicted)
  • 密度 : 1.51±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)