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1215077-69-2,MFCD20441854
Catalog No.:AA001518

1215077-69-2 | 1-Bromo-3-(butane-1-sulfinyl)benzene

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$107.00   $75.00
- +
5g
98%
in stock  
$297.00   $208.00
- +
25g
98%
in stock  
$774.00 $542.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA001518
Chemical Name:
1-Bromo-3-(butane-1-sulfinyl)benzene
CAS Number:
1215077-69-2
Molecular Formula:
C10H13BrOS
Molecular Weight:
261.1786
MDL Number:
MFCD20441854
SMILES:
CCCCS(=O)c1cccc(c1)Br
Properties
Computed Properties
 
Complexity:
172  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.9  

Downstream Synthesis Route

[1]CurrentPatentAssignee:KUBOTAPHARMACEUTICALHOLDINGSCOLTD-US2010/93865,2010,A1Locationinpatent:Page/Pagecolumn118

[1]Zhang,Lei;He,Jia-Ni;Liang,Yuchen;Hu,Mengjie;Shang,Li;Huang,Xin;Kong,Lichun;Wang,Zhi-Xiang;Peng,Bo[AngewandteChemie-InternationalEdition,2019,vol.58,#16,p.5316-5320][Angew.Chem.,2019,vol.131,#16,p.5370-5374,5]

1215077-69-2    109-75-1   
(E)-4-(2-bromo-4-(butylthio)phenyl)but-2-enenitrile 

[1]Zhang,Lei;He,Jia-Ni;Liang,Yuchen;Hu,Mengjie;Shang,Li;Huang,Xin;Kong,Lichun;Wang,Zhi-Xiang;Peng,Bo[AngewandteChemie-InternationalEdition,2019,vol.58,#16,p.5316-5320][Angew.Chem.,2019,vol.131,#16,p.5370-5374,5]

Literature
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SDS
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Tags:1215077-69-2 Molecular Formula|1215077-69-2 MDL|1215077-69-2 SMILES|1215077-69-2 1-Bromo-3-(butane-1-sulfinyl)benzene
Catalog No.: AA001518
1215077-69-2,MFCD20441854
1215077-69-2 | 1-Bromo-3-(butane-1-sulfinyl)benzene
Pack Size： 1g
Purity： 98%
in stock
$107.00 $75.00
Pack Size： 5g
Purity： 98%
in stock
$297.00 $208.00
Pack Size： 25g
Purity： 98%
in stock
$774.00 $542.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA001518
Chemical Name: 1-Bromo-3-(butane-1-sulfinyl)benzene
CAS Number: 1215077-69-2
Molecular Formula: C10H13BrOS
Molecular Weight: 261.1786
MDL Number: MFCD20441854
SMILES: CCCCS(=O)c1cccc(c1)Br
Properties
Complexity: 172  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.9  
Downstream Synthesis Route
156021-46-4    1215077-69-2 

[1]CurrentPatentAssignee:KUBOTAPHARMACEUTICALHOLDINGSCOLTD-US2010/93865,2010,A1Locationinpatent:Page/Pagecolumn118

109-65-9    6320-01-0    1215077-69-2 

[1]Zhang,Lei;He,Jia-Ni;Liang,Yuchen;Hu,Mengjie;Shang,Li;Huang,Xin;Kong,Lichun;Wang,Zhi-Xiang;Peng,Bo[AngewandteChemie-InternationalEdition,2019,vol.58,#16,p.5316-5320][Angew.Chem.,2019,vol.131,#16,p.5370-5374,5]

1215077-69-2    109-75-1   
(E)-4-(2-bromo-4-(butylthio)phenyl)but-2-enenitrile 

[1]Zhang,Lei;He,Jia-Ni;Liang,Yuchen;Hu,Mengjie;Shang,Li;Huang,Xin;Kong,Lichun;Wang,Zhi-Xiang;Peng,Bo[AngewandteChemie-InternationalEdition,2019,vol.58,#16,p.5316-5320][Angew.Chem.,2019,vol.131,#16,p.5370-5374,5]

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