945-03-9,MFCD00796503
Catalog No.:AA00VRTY

945-03-9 | (2-Oxo-1,3-benzothiazol-3(2h)-yl)acetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
2 weeks  
$329.00   $230.00
- +
500mg
95%
2 weeks  
$438.00   $306.00
- +
1g
95%
2 weeks  
$598.00   $418.00
- +
2.5g
95%
2 weeks  
$1,052.00   $736.00
- +
5g
>95%
2 weeks  
$1,654.00   $1,158.00
- +
10g
>95%
2 weeks  
$2,266.00   $1,586.00
- +
25g
>95%
2 weeks  
$4,000.00   $2,800.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00VRTY
Chemical Name:
(2-Oxo-1,3-benzothiazol-3(2h)-yl)acetic acid
CAS Number:
945-03-9
Molecular Formula:
C9H7NO3S
Molecular Weight:
209.2218
MDL Number:
MFCD00796503
SMILES:
OC(=O)Cn1c(=O)sc2c1cccc2
Properties
Computed Properties
 
Complexity:
269  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.6  

Literature

Title: Novel potent antagonists of human neuropeptide Y Y5 receptor. Part 1: 2-oxobenzothiazolin-3-acetic acid derivatives.

Journal: Bioorganic & medicinal chemistry letters 20020422

Title: Matrix-assisted laser desorption/ionization, fast atom bombardment and plasma desorption mass spectrometry of polyethylene glycol esters of (2-benzothiazolon-3-yl)acetic acid.

Journal: Journal of mass spectrometry : JMS 20010601

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SDS
Historical Records
Tags:945-03-9 Molecular Formula|945-03-9 MDL|945-03-9 SMILES|945-03-9 (2-Oxo-1,3-benzothiazol-3(2h)-yl)acetic acid
Catalog No.: AA00VRTY
945-03-9,MFCD00796503
945-03-9 | (2-Oxo-1,3-benzothiazol-3(2h)-yl)acetic acid
Pack Size: 250mg
Purity: 95%
2 weeks
$329.00 $230.00
Pack Size: 500mg
Purity: 95%
2 weeks
$438.00 $306.00
Pack Size: 1g
Purity: 95%
2 weeks
$598.00 $418.00
Pack Size: 2.5g
Purity: 95%
2 weeks
$1,052.00 $736.00
Pack Size: 5g
Purity: >95%
2 weeks
$1,654.00 $1,158.00
Pack Size: 10g
Purity: >95%
2 weeks
$2,266.00 $1,586.00
Pack Size: 25g
Purity: >95%
2 weeks
$4,000.00 $2,800.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA00VRTY
Chemical Name: (2-Oxo-1,3-benzothiazol-3(2h)-yl)acetic acid
CAS Number: 945-03-9
Molecular Formula: C9H7NO3S
Molecular Weight: 209.2218
MDL Number: MFCD00796503
SMILES: OC(=O)Cn1c(=O)sc2c1cccc2
Properties
Complexity: 269  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.6  
Literature fold

Title: Novel potent antagonists of human neuropeptide Y Y5 receptor. Part 1: 2-oxobenzothiazolin-3-acetic acid derivatives.

Journal: Bioorganic & medicinal chemistry letters20020422

Title: Matrix-assisted laser desorption/ionization, fast atom bombardment and plasma desorption mass spectrometry of polyethylene glycol esters of (2-benzothiazolon-3-yl)acetic acid.

Journal: Journal of mass spectrometry : JMS20010601

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