2-(Thiophen-2-Ylmethylene)Malononitrile (2-噻吩亚甲基)甲烷-1,1-二甲腈

CAS 28162-32-5 MFCD00114006

化学结构图

28162-32-5
SMILES: N#CC(=CC1=CC=CS1)C#N

化学属性

Mol. FormulaC8H4N2S
Mol. Weight160.20
Melting Point92-93°

别名和识别编码

Chemical Name2-(Thiophen-2-Ylmethylene)Malononitrile
CAS Number28162-32-5
Alfabeta NameTHIENYLMETHYLENEMALONONITRILE 22()--
MDL NumberMFCD00114006
Synonym 2-Thiophenemethylenemalononitrile 2-Thienylmethylenemalononitrile
Wiswesser Line NotationT5SJ B1UYCN&CN
Chemical Name Translation(2-噻吩亚甲基)甲烷-1,1-二甲腈
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分类

  • {KO} Nitriles

安全信息

Warnings IRRITANT
RTECSOO4460000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 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#07484

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
0
H-bond Acceptors
2
Rotatable Bonds
2
LogP
1

系列性分类

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