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74470-23-8,MFCD00010101
Catalog No.:AA003F0X

74470-23-8 | 2-(Methylthio)nicotinic acid

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1g
98%
in stock  
$22.00   $15.00
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5g
98%
in stock  
$56.00   $39.00
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25g
98%
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$278.00   $195.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003F0X
Chemical Name:
2-(Methylthio)nicotinic acid
CAS Number:
74470-23-8
Molecular Formula:
C7H7NO2S
Molecular Weight:
169.2010
MDL Number:
MFCD00010101
SMILES:
CSc1ncccc1C(=O)O
NSC Number:
95872
Properties
Properties
 
BP:
329.6 °C at 760 mmHg  
Form:
Solid  
MP:
214-218°C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
151  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1.2  

Downstream Synthesis Route

[1]Locationinpatent:schemeortableAitken,R.Alan;Garnett,AlasdairN.[NewJournalofChemistry,2009,vol.33,#12,p.2402-2404]

[2]Monge;Martinez-Merino;Cenarruzabeitia;etal.[EuropeanJournalofMedicinalChemistry,1985,vol.20,#1,p.61-66]

[3]Ye,Yong-Hao;Ma,Liang;Dai,Zhi-Cheng;Xiao,Yu;Zhang,Ying-Ying;Li,Dong-Dong;Wang,Jian-Xin;Zhu,Hai-Liang[JournalofAgriculturalandFoodChemistry,2014,vol.62,#18,p.4063-4071]

[4]Alcaide,Benito;Almendros,Pedro;Lázaro-Milla,Carlos;Delgado-Martínez,Patricia[Chemistry-AEuropeanJournal,2018,vol.24,#32,p.8186-8194]

[1]Becher,Jan;Johansen,Tea;Michael,MagedAziz[JournalofHeterocyclicChemistry,1984,vol.21,#1,p.41-48]

[1]Monge;Martinez-Merino;Cenarruzabeitia;etal.[EuropeanJournalofMedicinalChemistry,1985,vol.20,#1,p.61-66]

100643-71-8    74470-23-8   
4-(8-Chloro-5,6-dihydro-benzo5,6cyclohepta1,2-bpyridin-11-ylidene)-piperidin-1-yl-(2-methylsulfanyl-pyridin-3-yl)-methanone 

[1]Carceller;Merlos;Giral;Balsa;Almansa;Bartroli;Garcia-Rafanell;Forn[JournalofMedicinalChemistry,1994,vol.37,#17,p.2697-2703]

23806-24-8    74470-23-8    1053611-06-5   
C64H67N3O19S3 

[1]JournalofOrganicChemistry,1997,vol.62,p.6029-6033

Literature
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SDS
Tags:74470-23-8 Molecular Formula|74470-23-8 MDL|74470-23-8 SMILES|74470-23-8 2-(Methylthio)nicotinic acid