7271-44-5 (3-巯基-5-甲基-1,2,4-三氮唑,5-methyl-1,2-dihydro-1,2,4-triazole-3-thione)

CAS号:
7271-44-5
中文名称:
3-巯基-5-甲基-1,2,4-三氮唑
英文名称:
5-methyl-1,2-dihydro-1,2,4-triazole-3-thione
分子式:
C3H5N3S
分子量:
115.156898260117

3-巯基-5-甲基-1,2,4-三氮唑(7271-44-5)名称与标识符

名称

中文别名:
3-甲基-1,2,4-噻唑-5-硫酮;3-巯基-5-甲基-1,2,4-三氮唑;
英文别名:
3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-methyl-;3-Methyl-1H(4H)-1,2,4-triazole-5-thione;3-METHYL-1,2,4-TRIAZOLE-5-THIONE;3-Methyl-1H-1,2,4-triazole-5-thiol;5-Methyl-1,2,4-triazole-3-thiol;5-methyl-1,2-dihydro-3H-1,2,4-triazole-3-thione;5-methyl-3H-1,2,4-triazole-3-thione;5-methyl-1,2-dihydro-1,2,4-triazole-3-thione;NSC 166651;SCHEMBL688422;5-mercapto-2-methyl-1,3,4-triazole;CHEMBL1935505;AC-13689;NSC 202519;5-Mdtt;NSC-202519;3-methyl-1,2,4-triazole-5-thiol;Q27467835;AKOS005068359;MFCD00461653;3-methyl-4,5-dihydro-1h-1,2,4-triazole-5-thione;EN300-25558;5-methyl-2H-1,2,4-triazole-3-thiol;3-Mercapto-5-methyl-1,2,4-triazole;CS-0152795;AKOS000276612;FT-0620584;3-mercapto-5-methyl-4H-[1,2,4]triazole;NSC202519;SCHEMBL8021327;5-methyl-1H-1,2,4-triazole-3-thiol;NSC 508416;3-mercapto-5-methyl-4h-1,2,4-triazole;AKOS003634407;3-methyl-1H-1,2,4-triazole-5(4H)-thione;3H-1,4-Triazole-3-thione, 1,2-dihydro-5-methyl-;Z55982146;NSC-508416;2-Methyl-1,3,4-triazole-5-thiol;5-methyl-2,3-dihydro-1H-1,2,4-triazole-3-thione;AB06112;AE-641/30611016;NCIOpen2_003814;5-Methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione;NSC508416;1H-1,2,4-Triazole, 3-thiol-5-methyl-;BB 0259607;5-Methyl-1H-1,2,4-triazole-3(2H)-thione;5-Mercapto-3-methyl-1,2,4-triazole;MS-2947;RS-0255;3-methyl-5-mercapto-1,2,4-triazole;5-methyl-4H-1,2,4-triazole-3-thiol;NSC-166651;3-Methyl-1H-1,2,4-triazol-5-thiol;DTXSID90223009;NSC166651;7271-44-5;1,2-Dihydro-5-methyl-3H-1,2,4-triazole-3-thione;5-methyl-4H-1,2,4-triazol-3-yl hydrosulfide;A846893;DB-055670;1H-1,2,4-triazole-5-thiol, 3-methyl-;STK346849;DTXCID40145500;STL371268;3-Methyl-1,4-dihydro-1,2,4-triazole-5-thione;ALBB-014802;

标识符

MDL:
MFCD00461653
InChIKey:
OUZCWDMJTKYHCA-UHFFFAOYSA-N
Inchi:
1S/C3H5N3S/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7)
SMILES:
S=C1N=C(C)NN1

3-巯基-5-甲基-1,2,4-三氮唑(7271-44-5)物化性质

实验特性

  • PSA : 36.42

计算特性

  • 精确分子量 : 115.02055
  • 氢键供体数量 : 1
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 0
  • 同位素质量 : 115.02041835g/mol
  • 重原子数量 : 7
  • 复杂度 : 128
  • 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) : -0.2
  • 拓扑分子极性表面积 : 68.5Ų

3-巯基-5-甲基-1,2,4-三氮唑(7271-44-5)安全信息

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