299-89-8 (双乙酯硫胺,Ethanethioic acid,S-[1-[2-(acetyloxy)ethyl]-2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-propen-1-yl]ester)

CAS号:
299-89-8
中文名称:
双乙酯硫胺
英文名称:
Ethanethioic acid,S-[1-[2-(acetyloxy)ethyl]-2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-propen-1-yl]ester
分子式:
C16H22N4O4S
分子量:
366.435282230377

双乙酯硫胺(299-89-8)名称与标识符

名称

中文别名:
乙酰硫胺;双乙酯硫胺;
英文别名:
Ethanethioic acid,S-[1-[2-(acetyloxy)ethyl]-2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-propen-1-yl]ester;DIALLYLTRYPTAMINE;Ethanethioic acid,S-[1-[2-(acetyloxy)ethyl]-2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formyla...;ACETIAMINE;DIALLYLTRPTAMINE;O,S-Diacetyl-thiamin;S,O-Diacetyl-thiamin;Thianeuron;Acetiamine [INN];Acetiaminum [INN-Latin];D.A.T.;Q27289227;Acetiamina [INN-Spanish];[(Z)-3-acetylsulfanyl-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]pent-3-enyl] acetate;ACETIAMINE [MI];299-89-8;Acetic acid, thio-, S-ester with N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide acetate (ester);3-(Acetylthio)-4-(N-((4-amino-2-methylpyrimidin-5-yl)methyl)formamido)pent-3-en-1-yl acetate;N-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide O,S-diacetate;SIJ2OU269U;Thiamine, O,S-diacetyl-;NSC 290686;SCHEMBL515816;ACETIAMINE [WHO-DD];(Z)-3-Acetylthio-4-(N-(4-amino-2-methyl-5-pyrimidinylmethyl)formylamino)-3-pentenyl acetat;Acetiaminum;DTXSID801043380;UNII-SIJ2OU269U;O,S-Diacetylthiamine;Ethanethioic acid, S-(1-(2-(acetyloxy)ethyl)-2-(((4-amino-2-methyl-5-pyrimidinyl)methyl)formylamino)-1-propenyl) ester;ETHANETHIOIC ACID, S-(1-(2-(ACETYLOXY)ETHYL)-2-(((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)FORMYLAMINO)-1-PROPEN-1-YL) ESTER;DAT (VAN);Acetiamina;Diacethiamine;3-(Acetylthio)-4-(N-((4-amino-2-methylpyrimidin-5-yl)methyl)formamido)pent-3-en-1-ylacetate;Diacetylthiamine;D.A.T;

标识符

InChIKey:
ISIPQAHMLLFSFR-GDNBJRDFSA-N
Inchi:
1S/C16H22N4O4S/c1-10(15(25-13(4)23)5-6-24-12(3)22)20(9-21)8-14-7-18-11(2)19-16(14)17/h7,9H,5-6,8H2,1-4H3,(H2,17,18,19)/b15-10-
SMILES:
S(C(C)=O)/C(/CCOC(C)=O)=C(/C)\N(C=O)CC1=CN=C(C)N=C1N

双乙酯硫胺(299-89-8)物化性质

实验特性

  • LogP : 3.00710
  • PSA : 140.78000
  • 熔点 : 122-123° (dec); mp 123-124°

计算特性

  • 精确分子量 : 366.13600
  • 氢键供体数量 : 1
  • 氢键受体数量 : 8
  • 可旋转化学键数量 : 9
  • 同位素质量 : 366.13617637g/mol
  • 重原子数量 : 25
  • 复杂度 : 526
  • 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 : 1
  • 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) : 0.5
  • 拓扑分子极性表面积 : 141Ų

双乙酯硫胺(299-89-8)推荐厂家 更多厂家(1)

公司名称手机号/电话联系人QQ微信询单
深圳市瑞吉特生物科技有限公司 15813841136
0755-89459231
钦先生 1029374309
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