5-(Pyridin-3-Yl)-1,3,4-Oxadiazole-2-Thiol 5-(吡啶-3-基)-1,3,4-二唑-2-硫醇

CAS 3690-46-8 MFCD00139080

化学结构图

3690-46-8
SMILES: S=c1[nH]nc(-c2cccnc2)o1

化学属性

Mol. FormulaC7H5N3OS
Mol. Weight179.20
Melting Point231 °C
Boiling Point274.9°C at 760 mmHg

别名和识别编码

Chemical Name5-(Pyridin-3-Yl)-1,3,4-Oxadiazole-2-Thiol
CAS Number3690-46-8
Alfabeta NamePYRIDINYLOXADIAZOLETHIOL 531342()------,,
MDL NumberMFCD00139080
Synonym 5-(Pyridin-3-yl)-1,3,4-oxadiazole-2-thiol {LY} 5-(Pyridin-3-yl)-1,3,4-oxadiazole-2-thiol {} {LY} 5-(Pyridin-3-yl)-1,3,4-oxadiazole-2-thiol {} {} {LY} 5-(Pyridin-3-yl)-1,3,4-oxadiazole-2-thiol {} {} {} {LY} 5-(Pyridin-3-yl)-1,3,4-oxadiazole-2-thiol {} {} {} {} {LY} 5-(Pyridin-3-yl)-1,3,4-oxadiazole-2-thiol {} {} {} {} {} {LY} 5-(Pyridin-3-yl)-1,3,4-oxadiazole-2-thiol {} {} {} {} {} {} {LY} 5-(Pyridin-3-yl)-1,3,4-oxadiazole-2-thiol {} {} {} {} {} {} {} {LY} 5-(Pyridin-3-yl)-1,3,4-oxadiazole-2-thiol {} {} {} {} {} {} {} {} {LY} 5-(Pyridin-3-yl)-1,3,4-oxadiazole-2-thiol {} {} {} {} {} {} {} {} {} {LY} 5-(Pyridin-3-yl)-1,3,4-oxadiazole-2-thiol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-(Pyridin-3-yl)-1,3,4-oxadiazole-2-thiol {} {} {} {} {} {} {} {} {} {} {} {LY} 5-(Pyridin-3-yl)-1,3,4-oxadiazole-2-thiol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-(Pyridin-3-yl)-1,3,4-oxadiazole-2-thiol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-(Pyridin-3-yl)-
PubChem Substance ID659750
Chemical Name Translation5-(吡啶-3-基)-1,3,4-二唑-2-硫醇
InChIInChI=1S/C7H5N3OS/c12-7-10-9-6(11-7)5-2-1-3-8-4-5/h1-4H,(H,10,12)
LabNetwork Molecule IDLN00148949
Canonical SMILESC1=CC(=CN=C1)C2=NN=C(O2)S
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Oxadiazoles
  • {KO} Thiols

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
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。
  • 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
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • 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。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • 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
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H318 Causes serious eye damage 严重伤害眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Signal word Danger
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xn
Safety Statements
  • S39 Wear eye/face protection 戴眼睛/面孔保护装置；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
Risk Statements
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
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
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. Oxadiazoles 恶二唑

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