2-Phenylthiazolidine 2-苯基噻唑烷

CAS 4569-82-8 MFCD00128238

化学结构图

4569-82-8
SMILES: c1ccc(C2NCCS2)cc1

化学属性

Mol. FormulaC9
Mol. Weight165
Melting Point110-112°

别名和识别编码

Chemical Name2-Phenylthiazolidine
CAS Number4569-82-8
Alfabeta NamePHENYLTHIAZOLANE 213---,
MDL NumberMFCD00128238
Chemical Name Translation2-苯基噻唑烷
InChIKeyNXOMVTLTYYYYPC-UHFFFAOYSA-N
Wiswesser Line NotationT5M CSTJ BR
Synonym 2-Phenylthiazolidine 2-phenylthiazolidine Phenyl-2 thiazolidine
Beilstein Registry Number0120869
LabNetwork Molecule IDLN00149635
PubChem Substance ID20706
InChIInChI=1S/C9H11NS/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5,9-10H,6-7H2
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分类

  • {KO} AminesSecondaryHeteroNH

安全信息

Warnings IRRITANT
RTECSXJ6094000
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique.
   (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France)
   V.9-    1974-  Volume(issue)/page/year: 13,149,1978

Hazard statements
  • 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
  • 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。
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P332+P317
  • P337+P317
  • 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.....

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
1
H-bond Acceptors
1
Rotatable Bonds
1
LogP
2

系列性分类


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