4-[(Phenylsulfanyl)methyl]aniline

CAS 13738-70-0 MFCD00739202

化学结构图

13738-70-0
SMILES: NC1C=CC(CSC2C=CC=CC=2)=CC=1

化学属性

Mol. FormulaC13H13NS
Mol. Weight215.33
Melting Point73-75°

别名和识别编码

Chemical Namep-Toluidine, alpha-(phenylthio)-
CAS Number13738-70-0
Alfabeta NamePHENYLSULFANYLMETHYLANILINE 4[]()-
MDL NumberMFCD00739202
Synonym alpha-(Phenylthio)-p-toluidine
Wiswesser Line NotationZR D1SR
Beilstein Registry Number2805720
Chemical Name Translation
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信息真实价格透明    资金保障    专业采购外包团队在线服务   
品牌质保精细包装    现货库存    一流品牌服务   

分类

  • {KO} Anilines

安全信息

Warnings IRRITANT
RTECSXU8370000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 320 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#03539

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
0
Rotatable Bonds
3
H-bond Donors
1
LogP
3

系列性分类

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