38603-54-2 ((Thiourea, [2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]-)

CAS号:
38603-54-2
英文名称:
Thiourea, [2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]-
分子式:
C8H14N4S2
分子量:
230.353558063507

Thiourea, [2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]-(38603-54-2)名称与标识符

名称

英文别名:
Thiourea, [2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]-;Thiourea, N-[2-[[(4-methyl-1H-imidazol-5-yl)methyl]thio]ethyl]-;

标识符

InChIKey:
XSAXLPYZTXJUDU-UHFFFAOYSA-N
Inchi:
1S/C8H14N4S2/c1-6-7(12-5-11-6)4-14-3-2-10-8(9)13/h5H,2-4H2,1H3,(H,11,12)(H3,9,10,13)
SMILES:
N(CCSCC1NC=NC=1C)C(N)=S

Thiourea, [2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]-(38603-54-2)物化性质

实验特性

  • PSA : 66.73
  • 沸点 : 494.6±55.0 °C(Predicted)
  • 熔点 : 109-111 °C
  • 酸度系数(pKa) : 14.14±0.10(Predicted)
  • 密度 : 1.319±0.06 g/cm3(Predicted)

计算特性

  • 精确分子量 : 230.06622