1,2,3-Thiadiazole-4-carbohydrazide 1,2,3-噻二唑-4-碳酰肼

CAS 4100-18-9 MFCD00708766

化学结构图

4100-18-9
SMILES: NNC(=O)c1csnn1

化学属性

Mol. FormulaC3H4N4OS
Mol. Weight144.16
Melting Point207-209 °C

别名和识别编码

Chemical Name1,2,3-Thiadiazole-4-carbohydrazide
CAS Number4100-18-9
Alfabeta NameTHIADIAZOLECARBOHYDRAZIDE 1234---,,
MDL NumberMFCD00708766
Synonym 1,2,3-Thiadiazole-4-carbohydrazide {LY} 1,2,3-Thiadiazole-4-carbohydrazide {} {LY} 1,2,3-Thiadiazole-4-carbohydrazide {} {} {LY} 1,2,3-Thiadiazole-4-carbohydrazide {} {} {} {LY} 1,2,3-Thiadiazole-4-carbohydrazide {} {} {} {} {LY} 1,2,3-Thiadiazole-4-carbohydrazide {} {} {} {} {} {LY} 1,2,3-Thiadiazole-4-carbohydrazide {} {} {} {} {} {} {LY} 1,2,3-Thiadiazole-4-carbohydrazide {} {} {} {} {} {} {} {LY} 1,2,3-Thiadiazole-4-carbohydrazide {} {} {} {} {} {} {} {} {LY} 1,2,3-Thiadiazole-4-carbohydrazide {} {} {} {} {} {} {} {} {} {LY} 1,2,3-Thiadiazole-4-carbohydrazide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,2,3-Thiadiazole-4-carbohydrazide {} {} {} {} {} {} {} {} {} {} {} {LY} 1,2,3-Thiadiazole-4-carbohydrazide {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,2,3-Thiadiazole-4-carbohydrazide {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,2,3-Thiadiazole-4-carbohydrazide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,2,3-Thiadiazole-4-carbohydrazi
Chemical Name Translation1,2,3-噻二唑-4-碳酰肼
InChIKeyGBBQRNGEDIWRJI-UHFFFAOYSA-N
Wiswesser Line NotationT5NNSJ EVMZ
Beilstein Registry Number0124558
LabNetwork Molecule IDLN00146088
PubChem Substance ID72720
InChIInChI=1S/C3H4N4OS/c4-5-3(8)2-1-9-7-6-2/h1H,4H2,(H,5,8)
Canonical SMILESO=C(C1=CSN=N1)NN
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分类

  • {KO} Hydrazides
  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Thiadiazoles

安全信息

Warnings IRRITANT
RTECSXI3685000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 180 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#01560

Storage condition

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
4
Rotatable Bonds
1
H-bond Donors
2
LogP
-3.371000000000000e-001

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. Thiadiazoles 噻二唑

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