499796-96-2 ((2-Pyrimidinamine,4-(methylsulfonyl)-6-[4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]-)

CAS号:
499796-96-2
英文名称:
2-Pyrimidinamine,4-(methylsulfonyl)-6-[4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]-
分子式:
C16H13F3N4O2S2
分子量:
414.425230741501

2-Pyrimidinamine,4-(methylsulfonyl)-6-[4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]-(499796-96-2)名称与标识符

名称

英文别名:
2-Pyrimidinamine,4-(methylsulfonyl)-6-[4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]-;2-Pyrimidinamine, 4-(methylsulfonyl)-6-[4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]-;

标识符

InChIKey:
SBUBEONKHFOIEQ-UHFFFAOYSA-N
Inchi:
1S/C16H13F3N4O2S2/c1-8-13(11-7-12(27(2,24)25)23-15(20)22-11)26-14(21-8)9-3-5-10(6-4-9)16(17,18)19/h3-7H,1-2H3,(H2,20,22,23)
SMILES:
C1(N)=NC(C2SC(C3=CC=C(C(F)(F)F)C=C3)=NC=2C)=CC(S(C)(=O)=O)=N1

2-Pyrimidinamine,4-(methylsulfonyl)-6-[4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]-(499796-96-2)物化性质

实验特性

  • PSA : 98.83
  • 沸点 : 659.4±65.0 °C(Predicted)
  • 酸度系数(pKa) : -0.47±0.10(Predicted)
  • 密度 : 1.464±0.06 g/cm3(Predicted)

计算特性

  • 精确分子量 : 414.04339