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168165-88-6,MFCD06208216
Catalog No.:AA00ABSA

168165-88-6 | 4-(1,3-Dithian-2-yl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
95%
3 weeks  
$181.00   $127.00
- +
100mg
95%
3 weeks  
$213.00   $149.00
- +
250mg
95%
3 weeks  
$256.00   $179.00
- +
500mg
95%
3 weeks  
$336.00   $235.00
- +
1g
95%
3 weeks  
$399.00   $279.00
- +
2.5g
95%
3 weeks  
$675.00   $473.00
- +
5g
95%
3 weeks  
$945.00   $662.00
- +
10g
95%
3 weeks  
$1,343.00   $940.00
- +
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  • Technical Information
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Technical Information
Catalog Number:
AA00ABSA
Chemical Name:
4-(1,3-Dithian-2-yl)benzoic acid
CAS Number:
168165-88-6
Molecular Formula:
C11H12O2S2
Molecular Weight:
240.3418
MDL Number:
MFCD06208216
SMILES:
OC(=O)c1ccc(cc1)C1SCCCS1
Properties
Computed Properties
 
Complexity:
219  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2.8  

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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Tags:168165-88-6 Molecular Formula|168165-88-6 MDL|168165-88-6 SMILES|168165-88-6 4-(1,3-Dithian-2-yl)benzoic acid