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
SMILES: NNC(=O)c1csnn1
化学属性
| Mol. Formula | C3H4N4OS |
|---|---|
| Mol. Weight | 144.16 |
| Melting Point | 207-209 °C |
别名和识别编码
| Chemical Name | 1,2,3-Thiadiazole-4-Carbohydrazide |
|---|---|
| CAS Number | 4100-18-9 |
| Alfabeta Name | THIADIAZOLECARBOHYDRAZIDE 1234---,, |
| MDL Number | MFCD00708766 |
| 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-carbohydrazide {} {} {} {} {} {} {} {} {} |
| Chemical Name Translation | 1,2,3-噻二唑-4-碳酰肼 |
| InChIKey | GBBQRNGEDIWRJI-UHFFFAOYSA-N |
| Wiswesser Line Notation | T5NNSJ EVMZ |
| Beilstein Registry Number | 0124558 |
| LabNetwork Molecule ID | LN00146088 |
| PubChem Substance ID | 72720 |
| InChI | InChI=1S/C3H4N4OS/c4-5-3(8)2-1-9-7-6-2/h1H,4H2,(H,5,8) |
| Canonical SMILES | O=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
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
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
