3-(Benzylsulfanyl)-1H-1,2,4-triazol-5-ylamine 3-(苄硫基)-1H-1,2,4-三唑-5-胺

CAS 3922-47-2 MFCD00141524

化学结构图

3922-47-2
SMILES: Nc1n[nH]c(SCc2ccccc2)n1

化学属性

Mol. FormulaC9H10N4S
Mol. Weight206.27
Melting Point96-98 °C

别名和识别编码

Chemical Name3-(Benzylthio)-1H-1,2,4-Triazol-5-Amine
CAS Number3922-47-2
Alfabeta NameBENZYLSULFANYLTRIAZOLYLAMINE H311245()------,,
MDL NumberMFCD00141524
Synonym 5-(Benzylsulfanyl)-4H-1,2,4-triazol-3-amine {LY} 5-(Benzylsulfanyl)-4H-1,2,4-triazol-3-amine {} {LY} 5-(Benzylsulfanyl)-4H-1,2,4-triazol-3-amine {} {} {LY} 5-(Benzylsulfanyl)-4H-1,2,4-triazol-3-amine {} {} {} {LY} 5-(Benzylsulfanyl)-4H-1,2,4-triazol-3-amine {} {} {} {} {LY} 5-(Benzylsulfanyl)-4H-1,2,4-triazol-3-amine {} {} {} {} {} {LY} 5-(Benzylsulfanyl)-4H-1,2,4-triazol-3-amine {} {} {} {} {} {} {LY} 5-(Benzylsulfanyl)-4H-1,2,4-triazol-3-amine {} {} {} {} {} {} {} {LY} 5-(Benzylsulfanyl)-4H-1,2,4-triazol-3-amine {} {} {} {} {} {} {} {} {LY} 5-(Benzylsulfanyl)-4H-1,2,4-triazol-3-amine {} {} {} {} {} {} {} {} {} {LY} 5-(Benzylsulfanyl)-4H-1,2,4-triazol-3-amine {} {} {} {} {} {} {} {} {} {} {LY} 5-(Benzylsulfanyl)-4H-1,2,4-triazol-3-amine {} {} {} {} {} {} {} {} {} {} {} {LY} 5-(Benzylsulfanyl)-4H-1,2,4-triazol-3-amine {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-(Benzylsulfanyl)-4H-1,2,4-triazol-3-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-(Benzylsulfanyl)-4
Chemical Name Translation3-(苄硫基)-1H-1,2,4-三唑-5-胺
PubChem Substance ID737272
LabNetwork Molecule IDLN00146598
InChIInChI=1S/C9H10N4S/c10-8-11-9(13-12-8)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,10,11,12,13)
Canonical SMILESN=1N=C(N)NC1SCC=2C=CC=CC2
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分类

  • {KO} AminesSecondaryHeteroNH
  • {KO} AminesPrimary
  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Triazoles

安全信息

Warnings IRRITANT
WGK Germany3
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P312
  • P301+P317
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P362+P364
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Storage condition 2-8°C, protect from light, stored under nitrogen {LY} 2-8°C, protect from light, stored under nitrogen {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitr

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Donors
2
H-bond Acceptors
2
Rotatable Bonds
3
LogP
2

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. Triazoles 三唑

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