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

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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