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873208-64-1,MFCD07687270
Catalog No.:AA019ORE

873208-64-1 | 2-{[(3-methyl-1,2-oxazol-5-yl)methyl]sulfanyl}benzoic acid

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:
AA019ORE
Chemical Name:
2-{[(3-methyl-1,2-oxazol-5-yl)methyl]sulfanyl}benzoic acid
CAS Number:
873208-64-1
Molecular Formula:
C12H11NO3S
Molecular Weight:
249.2856
MDL Number:
MFCD07687270
SMILES:
Cc1noc(c1)CSc1ccccc1C(=O)O
Properties
Computed Properties
 
Complexity:
275  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.3  

Literature

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

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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Tags:873208-64-1 Molecular Formula|873208-64-1 MDL|873208-64-1 SMILES|873208-64-1 2-{[(3-methyl-1,2-oxazol-5-yl)methyl]sulfanyl}benzoic acid
Catalog No.: AA019ORE
873208-64-1,MFCD07687270
873208-64-1 | 2-{[(3-methyl-1,2-oxazol-5-yl)methyl]sulfanyl}benzoic acid
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: AA019ORE
Chemical Name: 2-{[(3-methyl-1,2-oxazol-5-yl)methyl]sulfanyl}benzoic acid
CAS Number: 873208-64-1
Molecular Formula: C12H11NO3S
Molecular Weight: 249.2856
MDL Number: MFCD07687270
SMILES: Cc1noc(c1)CSc1ccccc1C(=O)O
Properties
Complexity: 275  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 17  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.3  
Literature fold

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

Journal: Bioorganic & medicinal chemistry letters20101101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology20060501

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