2-(Methylthio)-1,4,5,6-tetrahydropyrimidine hydroiodide 2-(甲硫基)-1,4,5,6-四氢嘧啶氢碘酸盐

CAS 5445-73-8 MFCD00829842

化学结构图

5445-73-8
SMILES: CSC1=NCCCN1.I

化学属性

Mol. FormulaC5H11IN2S
Mol. Weight258.12
Melting Point138-139 °C

别名和识别编码

Chemical Name2-(Methylthio)-1,4,5,6-Tetrahydropyrimidine Hydroiodide
CAS Number5445-73-8
Alfabeta NameMETHYLSULFANYLTETRAHYDROPYRIMIDINEHYDROIODIDE 21456()---,,,
MDL NumberMFCD00829842
Chemical Name Translation2-(甲硫基)-1,4,5,6-四氢嘧啶氢碘酸盐
InChIKeyRUXGXTKDBJMOAM-UHFFFAOYSA-N
Synonym 2-(Methylthio)-1,4,5,6-tetrahydropyrimidine hydroiodide {LY} 2-(Methylthio)-1,4,5,6-tetrahydropyrimidine hydroiodide {} {LY} 2-(Methylthio)-1,4,5,6-tetrahydropyrimidine hydroiodide {} {} {LY} 2-(Methylthio)-1,4,5,6-tetrahydropyrimidine hydroiodide {} {} {} {LY} 2-(Methylthio)-1,4,5,6-tetrahydropyrimidine hydroiodide {} {} {} {} {LY} 2-(Methylthio)-1,4,5,6-tetrahydropyrimidine hydroiodide {} {} {} {} {} {LY} 2-(Methylthio)-1,4,5,6-tetrahydropyrimidine hydroiodide {} {} {} {} {} {} {LY} 2-(Methylthio)-1,4,5,6-tetrahydropyrimidine hydroiodide {} {} {} {} {} {} {} {LY} 2-(Methylthio)-1,4,5,6-tetrahydropyrimidine hydroiodide {} {} {} {} {} {} {} {} {LY} 2-(Methylthio)-1,4,5,6-tetrahydropyrimidine hydroiodide {} {} {} {} {} {} {} {} {} {LY} 2-(Methylthio)-1,4,5,6-tetrahydropyrimidine hydroiodide {} {} {} {} {} {} {} {} {} {} {LY} 2-(Methylthio)-1,4,5,6-tetrahydropyrimidine hydroiodide {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Methylthio)-1,4,5,6-tetrahydropyrimidine hydroio
Wiswesser Line NotationT6M CN BUTJ BS1 &IH
LabNetwork Molecule IDLN00148061
PubChem Substance ID199998
InChIInChI=1S/C5H10N2S.HI/c1-8-5-6-3-2-4-7-5;/h2-4H2,1H3,(H,6,7);1H
Canonical SMILESCSC1=NCCCN1.I
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分类

  • {KO} Misc
  • {KO} AminesSecondaryHeteroNH

安全信息

Warnings IRRITANT
RTECSUW5980000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 178 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#00726

Storage condition

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
1
H-bond Donors
1
LogP
1

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Pyrimidines 嘧啶
  1. Functional Group 官能团索引
  2. isothiourea

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