4147-57-3 (N2-(1-Methylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine (GS 11354,N2-(1-Methylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine (GS 11354)

CAS号:
4147-57-3
中文名称:
N2-(1-Methylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine (GS 11354
英文名称:
N2-(1-Methylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine (GS 11354
分子式:
C7H13N5S
分子量:
199.276618719101

N2-(1-Methylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine (GS 11354(4147-57-3)名称与标识符

名称

中文别名:
N 2-(1-甲基乙基)-6-(甲硫基)-1,3,5-三嗪-2,4-二胺(GS 11354);
英文别名:
N2-(1-Methylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine (GS 11354;6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;N2-(1-METHYLETHYL)-6-(METHYLTHIO)-1,3,5-TRIAZINE-2,4-DIAMINE (GS 11354);1,3,5-triazine-2,4-diamine, N~2~-(1-methylethyl)-6-(methylthio)-;N-Isopropyl-6-(methylsulfanyl)-1,3,5-triazin-2,4-diamin;N-Isopropyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine;N-Isopropyl-6-(méthylsulfanyl)-1,3,5-triazine-2,4-diamine;PWERJYSEXWGFLB-UHFFFAOYSA-N;NS00116218;2-METHYLTHIO-4-AMINO-6-ISOPROPYLAMINO-S-TRIAZINE;2-(methylthio)-4-amino-6(isopropylamino)-s-triazine;SCHEMBL2106591;UNII-BOQ0NNL43R;Deethylametryne;2-Amino-4-isopropylamino-6-methylthio-1,3,5-triazine;4147-57-3;1,3,5-Triazine-2,4-diamine, N-(1-methylethyl)-6-(methylthio)-;N2-(1-Methylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine;4-(ISOPROPYLAMINO)-6-(METHYLTHIO)-S-TRIAZIN-2-AMINE;1,3,5-Triazine-2,4-diamine, N2-(1-methylethyl)-6-(methylthio)-;GS 11354;BOQ0NNL43R;DTXSID30194365;

标识符

InChIKey:
PWERJYSEXWGFLB-UHFFFAOYSA-N
Inchi:
1S/C7H13N5S/c1-4(2)9-6-10-5(8)11-7(12-6)13-3/h4H,1-3H3,(H3,8,9,10,11,12)
SMILES:
S(C)C1=NC(N)=NC(=N1)NC(C)C

N2-(1-Methylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine (GS 11354(4147-57-3)物化性质

实验特性

  • PSA : 76.72

计算特性

  • 精确分子量 : 199.08939
  • 氢键供体数量 : 2
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 3
  • 同位素质量 : 199.08916661g/mol
  • 重原子数量 : 13
  • 复杂度 : 154
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 2
  • 拓扑分子极性表面积 : 102Ų