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27106-11-2,MFCD06655227
Catalog No.:AA00BOX1

27106-11-2 | 4-Butyl-5-mercapto-4H-1,2,4-triazol-3-ol

This product is typically in stock,please click "Inquire" below or
contact us at [email protected] for pricing and availability information.
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00BOX1
Chemical Name:
4-Butyl-5-mercapto-4H-1,2,4-triazol-3-ol
CAS Number:
27106-11-2
Molecular Formula:
C6H11N3OS
Molecular Weight:
173.2360
MDL Number:
MFCD06655227
SMILES:
CCCCn1c(O)nnc1S
Properties
Computed Properties
 
Complexity:
183  
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:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1  

Literature

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

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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Tags:27106-11-2 Molecular Formula|27106-11-2 MDL|27106-11-2 SMILES|27106-11-2 4-Butyl-5-mercapto-4H-1,2,4-triazol-3-ol
Catalog No.: AA00BOX1
27106-11-2,MFCD06655227
27106-11-2 | 4-Butyl-5-mercapto-4H-1,2,4-triazol-3-ol
This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.
Inquire
Technical Information
Catalog Number: AA00BOX1
Chemical Name: 4-Butyl-5-mercapto-4H-1,2,4-triazol-3-ol
CAS Number: 27106-11-2
Molecular Formula: C6H11N3OS
Molecular Weight: 173.2360
MDL Number: MFCD06655227
SMILES: CCCCn1c(O)nnc1S
Properties
Complexity: 183  
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: 2  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1  
Literature fold

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

Journal: Bioorganic & medicinal chemistry letters20101101

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