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77248-65-8,MFCD06796637
Catalog No.:AA005D25

77248-65-8 | 5-Methylthio-indole

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$186.00   $130.00
- +
5g
98%
in stock  
$639.00   $447.00
- +
10g
98%
in stock  
$1,154.00 $808.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA005D25
Chemical Name:
5-Methylthio-indole
CAS Number:
77248-65-8
Molecular Formula:
C9H9NS
Molecular Weight:
163.2395
MDL Number:
MFCD06796637
SMILES:
CSc1ccc2c(c1)cc[nH]2
Properties
Properties
 
Storage:
2-8℃;  

Computed Properties
 
Complexity:
138  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.8  

Downstream Synthesis Route
1445-73-4    77248-65-8   
5-Methylsulfanyl-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole 

[1]Agarwal;Pearson;Taylor;Li;Dahlgren;Herslof;Yang;Lambert;Nelson;Regan;Martin[JournalofMedicinalChemistry,1993,vol.36,#25,p.4006-4014]

[1]Yang,Youhua;Martin,ArnoldR.;Nelson,DavidL.;Regan,John[Heterocycles,1992,vol.34,#6,p.1169-1175]

[1]Guillaume;Dumont;Laurent;Nedelec[EuropeanJournalofMedicinalChemistry,1987,vol.22,#1,p.33-43]

[1]Yang,Youhua;Martin,ArnoldR.;Nelson,DavidL.;Regan,John[Heterocycles,1992,vol.34,#6,p.1169-1175]

[2]CurrentPatentAssignee:ROCHEHOLDINGAG-CN113015526,2021,ALocationinpatent:Paragraph1205-1210

[1]Davis,PeterD.;Hill,ChristopherH.;Lawton,Geoffrey;Nixon,JohnS.;Wilkinson,SandraE.;etal.[JournalofMedicinalChemistry,1992,vol.35,#1,p.177-184]

Literature
Quotation Request
Company Name:
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Quantity Required:
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Additional Info:
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SDS
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Tags:77248-65-8 Molecular Formula|77248-65-8 MDL|77248-65-8 SMILES|77248-65-8 5-Methylthio-indole
Catalog No.: AA005D25
77248-65-8,MFCD06796637
77248-65-8 | 5-Methylthio-indole
Pack Size： 1g
Purity： 98%
in stock
$186.00 $130.00
Pack Size： 5g
Purity： 98%
in stock
$639.00 $447.00
Pack Size： 10g
Purity： 98%
in stock
$1,154.00 $808.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA005D25
Chemical Name: 5-Methylthio-indole
CAS Number: 77248-65-8
Molecular Formula: C9H9NS
Molecular Weight: 163.2395
MDL Number: MFCD06796637
SMILES: CSc1ccc2c(c1)cc[nH]2
Properties
Storage: 2-8℃;  
Complexity: 138  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.8  
Downstream Synthesis Route
1445-73-4    77248-65-8   
5-Methylsulfanyl-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole 

[1]Agarwal;Pearson;Taylor;Li;Dahlgren;Herslof;Yang;Lambert;Nelson;Regan;Martin[JournalofMedicinalChemistry,1993,vol.36,#25,p.4006-4014]

10075-50-0    624-92-0    77248-65-8 

[1]Yang,Youhua;Martin,ArnoldR.;Nelson,DavidL.;Regan,John[Heterocycles,1992,vol.34,#6,p.1169-1175]

40064-34-4    77248-65-8    77248-67-0 

[1]Guillaume;Dumont;Laurent;Nedelec[EuropeanJournalofMedicinalChemistry,1987,vol.22,#1,p.33-43]

77248-65-8    98-59-9    144453-63-4 

[1]Yang,Youhua;Martin,ArnoldR.;Nelson,DavidL.;Regan,John[Heterocycles,1992,vol.34,#6,p.1169-1175]

[2]CurrentPatentAssignee:ROCHEHOLDINGAG-CN113015526,2021,ALocationinpatent:Paragraph1205-1210

77248-65-8    74-88-4    135704-57-3 

[1]Davis,PeterD.;Hill,ChristopherH.;Lawton,Geoffrey;Nixon,JohnS.;Wilkinson,SandraE.;etal.[JournalofMedicinalChemistry,1992,vol.35,#1,p.177-184]

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