N-(2-Propenyl)-1H-benzotriazole-1-carbothioamide N-(2-丙烯基)-1H-苯并三唑-1-硫代酰胺

CAS 690634-06-1 MFCD05149230

化学结构图

690634-06-1
SMILES: C=CCNC(=S)N1N=NC2C=CC=CC1=2

化学属性

Mol. FormulaC10H10N4S
Mol. Weight218
Melting Point56-60 °C

别名和识别编码

Chemical NameN-(2-Propenyl)-1H-benzotriazole-1-carbothioamide
Alfabeta NameALLYLBENZOTRIAZOLECARBOTHIOAMIDE NH11231------,,
MDL NumberMFCD05149230
CAS Number690634-06-1
Synonym 苯并三唑-1-羧硫代酸烯丙基酰胺 N-(2-丙烯基)-1H-苯并三唑-1-硫代酰胺
PubChem Substance ID24884045
Chemical Name TranslationN-(2-丙烯基)-1H-苯并三唑-1-硫代酰胺
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分类

  • {KO} Misc
  • {SNA} C-C Bond Formation, Chemical Synthesis, Others, Synthetic Reagents
  • {SNA} C-C Bond Formation, Chemical Synthesis, Other Synthetic Reagents for C-C Bond Formation, Synthetic Reagents

安全信息

Warnings IRRITANT
Safety Statements
  • 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；
  • S39 Wear eye/face protection 戴眼睛/面孔保护装置；
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。
  • 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。
  • P305+P351+P338
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H318 Causes serious eye damage 严重伤害眼睛
  • H302 Harmful if swallowed 吞食有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Signal word Danger
Hazard Codes Xn
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
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

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
3
Rotatable Bonds
4
H-bond Donors
1
LogP
2

系列性分类

  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. C-C Bond Formation - Synthetic Reagents
  4. Others - C-C Bond Formation

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