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3125-64-2,MFCD00040335
Catalog No.:AA003JL0

3125-64-2 | 3-METHOXYPHENYL ISOTHIOCYANATE

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$13.00   $9.00
- +
5g
98%(GC)
in stock  
$51.00   $36.00
- +
25g
98%(GC)
in stock  
$158.00   $110.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003JL0
Chemical Name:
3-METHOXYPHENYL ISOTHIOCYANATE
CAS Number:
3125-64-2
Molecular Formula:
C8H7NOS
Molecular Weight:
165.2123
MDL Number:
MFCD00040335
SMILES:
S=C=Nc1cccc(c1)OC
Properties
Properties
 
BP:
129°C at 11 mmHg  
Form:
Liquid  

Computed Properties
 
Complexity:
166  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
2  
XLogP3:
3.7  

Downstream Synthesis Route

[1]Goodyer,ClaireL.M.;Chinje,EdwinC.;Jaffar,Mohammed;Stratford,IanJ.;Threadgill,MichaelD.[BioorganicandMedicinalChemistry,2003,vol.11,#19,p.4189-4206]

[2]Dyson;George;Hunter[JournaloftheChemicalSociety,1927,p.440]

[3]Wilson,KennethJ.;Illig,CarlR.;Subasinghe,Nalin;Hoffman,JamesB.;JonathanRudolph;Soll,Richard;Molloy,ChristopherJ.;Bone,Roger;Green,David;Randall,Troy;Zhang,Marie;Lewandowski,FrankA.;Zhou,Zhao;Sharp,Celia;Maguire,Diane;Grasberger,Bruce;DesJarlais,ReneeL.;Spurlino,John[BioorganicandMedicinalChemistryLetters,2001,vol.11,#7,p.915-918]

[4]Locationinpatent:schemeortableNitta,Aiko;Fujii,Hideaki;Sakami,Satoshi;Nishimura,Yutaka;Ohyama,Tomofumi;Satoh,Mikiya;Nakaki,Junko;Satoh,Shiho;Inada,Chifumi;Kozono,Hideki;Kumagai,Hiroki;Shimamura,Masahiro;Fukazawa,Tominaga;Kawai,Hideki[BioorganicandMedicinalChemistryLetters,2008,vol.18,#20,p.5435-5438]

101-59-7    3125-64-2   
1-(3-Methoxy-phenyl)-3-4-(4-nitro-phenylsulfanyl)-phenyl-thiourea 

[1]Shankar;Pandeya[Arzneimittel-Forschung/DrugResearch,1981,vol.31,#5,p.753-756]

[1]Singh;Nagar;Chaudhari;Parmar[JournalofPharmaceuticalSciences,1973,vol.62,#3,p.504-507]

[1]BioorganicandMedicinalChemistryLetters,2001,vol.11,p.915-918

66-77-3    3125-64-2    171778-06-6   
2-2-(3-methoxy-phenylamino)-3-naphthalen-1-ylmethyl-3,4-dihydro-quinazolin-4-yl-acetamide 

[1]Song,Aimin;Mařík,Jan;Lam,KitS.[TetrahedronLetters,2004,vol.45,#13,p.2727-2730]

Literature

Title: 1-(3-Hy-droxy-phen-yl)-3-(3-meth-oxy-phenyl)thio-urea.

Journal: Acta crystallographica. Section E, Structure reports online 20120201

Title: Hydroxybenzothiazoles as new nonsteroidal inhibitors of 17β-hydroxysteroid dehydrogenase type 1 (17β-HSD1).

Journal: PloS one 20120101

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: 1-(2-Hy-droxy-eth-yl)-3-(3-meth-oxy-phen-yl)thio-urea.

Journal: Acta crystallographica. Section E, Structure reports online 20101001

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