Benzo[C][1,2,5]Thiadiazole-5-Carbaldehyde 2,1,3-苯并噻二唑-5-甲醛

CAS 71605-72-6 MFCD00457949

化学结构图

71605-72-6
SMILES: O=CC1=CC2=NSN=C2C=C1

化学属性

Mol. FormulaC7H4N2OS
Mol. Weight164.18
Melting Point91 - 93 (°C)

别名和识别编码

Chemical NameBenzo[C][1,2,5]Thiadiazole-5-Carbaldehyde
CAS Number71605-72-6
Alfabeta NameBENZOTHIADIAZOLECARBALDEHYDE 2135---,,
MDL NumberMFCD00457949
Synonym 2,1,3-benzothiadiazole-5-carbaldehyde
PubChem Substance ID329789476
Chemical Name Translation2,1,3-苯并噻二唑-5-甲醛
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分类

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

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
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
Signal word Danger
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；
Hazard Codes Xi
Risk Statements
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
Hazard statements
  • 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

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 Acceptors
3
Rotatable Bonds
1
H-bond Donors
0
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. Thiadiazoles 噻二唑
  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. Thiazoles 噻唑

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