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175202-50-3,MFCD00084980
Catalog No.:AA0020EJ

175202-50-3 | 6,6-Dimethyl-3-(methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carbonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
>95%
1 week  
$281.00   $197.00
- +
5mg
>95%
1 week  
$297.00   $208.00
- +
1g
>95%
1 week  
$311.00   $218.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0020EJ
Chemical Name:
6,6-Dimethyl-3-(methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carbonitrile
CAS Number:
175202-50-3
Molecular Formula:
C12H13NOS2
Molecular Weight:
251.3677
MDL Number:
MFCD00084980
SMILES:
N#Cc1sc(c2c1CC(C)(C)CC2=O)SC
Properties
Computed Properties
 
Complexity:
357  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.4  

Downstream Synthesis Route

[1]Chambers,MarkS.;Atack,JohnR.;Broughton,HowardB.;Collinson,Neil;Cook,Susan;Dawson,GerardR.;Hobbs,SarahC.;Marshall,George;Maubach,KarenA.;Pillai,GoplanV.;Reeve,AustinJ.;MacLeod,AngusM.[JournalofMedicinalChemistry,2003,vol.46,#11,p.2227-2240]

[2]Chambers,MarkS.;Atack,JohnR.;Bromidge,FrancesA.;Broughton,HowardB.;Cook,Susan;Dawson,GerardR.;Hobbs,SarahC.;Maubach,KarenA.;Reeve,AustinJ.;Seabrook,GuyR.;Wafford,Keith;Ma,AngusM.[JournalofMedicinalChemistry,2002,vol.45,#6,p.1176-1179]

[1]Chambers,MarkS.;Atack,JohnR.;Broughton,HowardB.;Collinson,Neil;Cook,Susan;Dawson,GerardR.;Hobbs,SarahC.;Marshall,George;Maubach,KarenA.;Pillai,GoplanV.;Reeve,AustinJ.;MacLeod,AngusM.[JournalofMedicinalChemistry,2003,vol.46,#11,p.2227-2240]

[1]Chambers,MarkS.;Atack,JohnR.;Broughton,HowardB.;Collinson,Neil;Cook,Susan;Dawson,GerardR.;Hobbs,SarahC.;Marshall,George;Maubach,KarenA.;Pillai,GoplanV.;Reeve,AustinJ.;MacLeod,AngusM.[JournalofMedicinalChemistry,2003,vol.46,#11,p.2227-2240]

[2]Chambers,MarkS.;Atack,JohnR.;Bromidge,FrancesA.;Broughton,HowardB.;Cook,Susan;Dawson,GerardR.;Hobbs,SarahC.;Maubach,KarenA.;Reeve,AustinJ.;Seabrook,GuyR.;Wafford,Keith;Ma,AngusM.[JournalofMedicinalChemistry,2002,vol.45,#6,p.1176-1179]

[3]CurrentPatentAssignee:MERCK&COINC-US6262103,2001,B1

[1]Chambers,MarkS.;Atack,JohnR.;Broughton,HowardB.;Collinson,Neil;Cook,Susan;Dawson,GerardR.;Hobbs,SarahC.;Marshall,George;Maubach,KarenA.;Pillai,GoplanV.;Reeve,AustinJ.;MacLeod,AngusM.[JournalofMedicinalChemistry,2003,vol.46,#11,p.2227-2240]

[2]Chambers,MarkS.;Atack,JohnR.;Bromidge,FrancesA.;Broughton,HowardB.;Cook,Susan;Dawson,GerardR.;Hobbs,SarahC.;Maubach,KarenA.;Reeve,AustinJ.;Seabrook,GuyR.;Wafford,Keith;Ma,AngusM.[JournalofMedicinalChemistry,2002,vol.45,#6,p.1176-1179]

[1]Chambers,MarkS.;Atack,JohnR.;Broughton,HowardB.;Collinson,Neil;Cook,Susan;Dawson,GerardR.;Hobbs,SarahC.;Marshall,George;Maubach,KarenA.;Pillai,GoplanV.;Reeve,AustinJ.;MacLeod,AngusM.[JournalofMedicinalChemistry,2003,vol.46,#11,p.2227-2240]

[2]Chambers,MarkS.;Atack,JohnR.;Bromidge,FrancesA.;Broughton,HowardB.;Cook,Susan;Dawson,GerardR.;Hobbs,SarahC.;Maubach,KarenA.;Reeve,AustinJ.;Seabrook,GuyR.;Wafford,Keith;Ma,AngusM.[JournalofMedicinalChemistry,2002,vol.45,#6,p.1176-1179]

Literature
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Tags:175202-50-3 Molecular Formula|175202-50-3 MDL|175202-50-3 SMILES|175202-50-3 6,6-Dimethyl-3-(methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carbonitrile
Catalog No.: AA0020EJ
175202-50-3,MFCD00084980
175202-50-3 | 6,6-Dimethyl-3-(methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carbonitrile
Pack Size： 1mg
Purity： >95%
1 week
$281.00 $197.00
Pack Size： 5mg
Purity： >95%
1 week
$297.00 $208.00
Pack Size： 1g
Purity： >95%
1 week
$311.00 $218.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0020EJ
Chemical Name: 6,6-Dimethyl-3-(methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carbonitrile
CAS Number: 175202-50-3
Molecular Formula: C12H13NOS2
Molecular Weight: 251.3677
MDL Number: MFCD00084980
SMILES: N#Cc1sc(c2c1CC(C)(C)CC2=O)SC
Properties
Complexity: 357  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 16  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.4  
Downstream Synthesis Route
175202-50-3    207307-82-2 

[1]Chambers,MarkS.;Atack,JohnR.;Broughton,HowardB.;Collinson,Neil;Cook,Susan;Dawson,GerardR.;Hobbs,SarahC.;Marshall,George;Maubach,KarenA.;Pillai,GoplanV.;Reeve,AustinJ.;MacLeod,AngusM.[JournalofMedicinalChemistry,2003,vol.46,#11,p.2227-2240]

[2]Chambers,MarkS.;Atack,JohnR.;Bromidge,FrancesA.;Broughton,HowardB.;Cook,Susan;Dawson,GerardR.;Hobbs,SarahC.;Maubach,KarenA.;Reeve,AustinJ.;Seabrook,GuyR.;Wafford,Keith;Ma,AngusM.[JournalofMedicinalChemistry,2002,vol.45,#6,p.1176-1179]

64-17-5    175202-50-3    207307-80-0 

[1]Chambers,MarkS.;Atack,JohnR.;Broughton,HowardB.;Collinson,Neil;Cook,Susan;Dawson,GerardR.;Hobbs,SarahC.;Marshall,George;Maubach,KarenA.;Pillai,GoplanV.;Reeve,AustinJ.;MacLeod,AngusM.[JournalofMedicinalChemistry,2003,vol.46,#11,p.2227-2240]

175202-50-3    207306-56-7 

[1]Chambers,MarkS.;Atack,JohnR.;Broughton,HowardB.;Collinson,Neil;Cook,Susan;Dawson,GerardR.;Hobbs,SarahC.;Marshall,George;Maubach,KarenA.;Pillai,GoplanV.;Reeve,AustinJ.;MacLeod,AngusM.[JournalofMedicinalChemistry,2003,vol.46,#11,p.2227-2240]

[2]Chambers,MarkS.;Atack,JohnR.;Bromidge,FrancesA.;Broughton,HowardB.;Cook,Susan;Dawson,GerardR.;Hobbs,SarahC.;Maubach,KarenA.;Reeve,AustinJ.;Seabrook,GuyR.;Wafford,Keith;Ma,AngusM.[JournalofMedicinalChemistry,2002,vol.45,#6,p.1176-1179]

[3]CurrentPatentAssignee:MERCK&COINC-US6262103,2001,B1

175202-50-3    410090-78-7 

[1]Chambers,MarkS.;Atack,JohnR.;Broughton,HowardB.;Collinson,Neil;Cook,Susan;Dawson,GerardR.;Hobbs,SarahC.;Marshall,George;Maubach,KarenA.;Pillai,GoplanV.;Reeve,AustinJ.;MacLeod,AngusM.[JournalofMedicinalChemistry,2003,vol.46,#11,p.2227-2240]

[2]Chambers,MarkS.;Atack,JohnR.;Bromidge,FrancesA.;Broughton,HowardB.;Cook,Susan;Dawson,GerardR.;Hobbs,SarahC.;Maubach,KarenA.;Reeve,AustinJ.;Seabrook,GuyR.;Wafford,Keith;Ma,AngusM.[JournalofMedicinalChemistry,2002,vol.45,#6,p.1176-1179]

175202-50-3    207306-50-1 

[1]Chambers,MarkS.;Atack,JohnR.;Broughton,HowardB.;Collinson,Neil;Cook,Susan;Dawson,GerardR.;Hobbs,SarahC.;Marshall,George;Maubach,KarenA.;Pillai,GoplanV.;Reeve,AustinJ.;MacLeod,AngusM.[JournalofMedicinalChemistry,2003,vol.46,#11,p.2227-2240]

[2]Chambers,MarkS.;Atack,JohnR.;Bromidge,FrancesA.;Broughton,HowardB.;Cook,Susan;Dawson,GerardR.;Hobbs,SarahC.;Maubach,KarenA.;Reeve,AustinJ.;Seabrook,GuyR.;Wafford,Keith;Ma,AngusM.[JournalofMedicinalChemistry,2002,vol.45,#6,p.1176-1179]

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