131321-42-1 ((9ci)-4,6-二甲基-2-嘧啶硫醇,2-Pyrimidinethiol,4,6-dimethyl-)

CAS号:
131321-42-1
中文名称:
(9ci)-4,6-二甲基-2-嘧啶硫醇
英文名称:
2-Pyrimidinethiol,4,6-dimethyl-
分子式:
C6H8N2S
分子量:
140.206119537354

(9ci)-4,6-二甲基-2-嘧啶硫醇(131321-42-1)名称与标识符

名称

中文别名:
(9ci)-4,6-二甲基-2-嘧啶硫醇;2-巯基-4,6-二甲基嘧啶水合物;
英文别名:
2-Pyrimidinethiol,4,6-dimethyl-;2-Pyrimidinethiol, 4,6-dimethyl- (9CI);SB56806;4,6-Dimethyl-2-thiopyrimidine;CS-W016454;4,6-dimethyl-1,2-dihydropyrimidine-2-thione;UNII-YGT3ZQ6LZP;4, 6-Dimethyl-2-mercaptopyrimidine;4,6-dimethyl-pyrimidine-2-thiol;AB01319403-02;MFCD00006079;4,6-Dimethyl-2(1H)-pyrimidinethione;131321-42-1;J-514103;FT-0688927;AC-26754;4,6-Dimethylpyrimidine-2-thione;4,6-Dimethyl-2-pyrimidinethiol;AKOS000269270;AM81324;SCHEMBL51447;SY021364;D1580;EN300-24824;BCP24727;4,6-dimethyl-1H-pyrimidine-2-thione;Z203045050;4.6-Dimethyl-2-mercaptopyrimidine;J-650335;4,6-DIMETHYL-2-PYRIMIDINYLMERCAPTAN;4,6-Dimethylpyrimidine-2-thiol;4,5-Dimethylpyrimidine-2(1H)-thione;2-Pyrimidinethiol, 4,6-dimethyl-;HMS1766L06;4,6-Dimethyl-2-mercaptopyrimidine;EINECS 244-911-3;NS00027127;YGT3ZQ6LZP;4, 6dimethyl-2-mercaptopyrimidine;4,6-dimethylpyrimidine-2(1h)-thione;2(1H)-Pyrimidinethione, 4,6-dimethyl-;AKOS000119130;MFCD00272876;2-Mercapto-4,6-dimethyl-pyrimidine;J-800158;2-Pyrimidinethiol,6-dimethyl-;NSC15491;4,6dimethyl-2-mercaptopyrimidine;NSC-314273;4,6 dimethyl-2-mercaptopyrimidine;22325-27-5;F2130-0006;4,6-dimethyl-2-mercapto-pyrimidine;DTXSID70176867;BB 0218011;SB57257;2(1H)-Pyrimidinethione,6-dimethyl-;2-thio-4,6-dimethylpyrimidine;2-Mercapto-4,6-dimethylpyrimidine;GS-6774;NCGC00324881-01;CHEMBL1650609;J-640155;NSC-314274;NSC 15491;FT-0617264;4,6-Dimethyl-2-Mercatopyrimidine;4,6-DIMETHYL-2-PYRIMIDINETHIONE;NSC-15491;

标识符

InChIKey:
RAFAYWADRVMWFA-UHFFFAOYSA-N
Inchi:
1S/C6H8N2S/c1-4-3-5(2)8-6(9)7-4/h3H,1-2H3,(H,7,8,9)
SMILES:
S=C1N=C(C)C=C(C)N1

(9ci)-4,6-二甲基-2-嘧啶硫醇(131321-42-1)物化性质

实验特性

  • PSA : 25.78
  • 折射率 : 1.614
  • 沸点 : 212.9 °C at 760 mmHg
  • 闪点 : 82.5 °C
  • 颜色与性状 : 黄色固体
  • 密度 : 1.2

计算特性

  • 精确分子量 : 140.04094
  • 氢键供体数量 : 1
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 0
  • 同位素质量 : 140.041
  • 重原子数量 : 9
  • 复杂度 : 203
  • 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) : 0.6
  • 拓扑分子极性表面积 : 56.5A^2

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