88768-45-0,MFCD00010287
Catalog No.:AA003BL6

88768-45-0 | 2-(Pyrimidin-2-ylthio)acetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$29.00   $20.00
- +
5g
98%
in stock  
$43.00   $30.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003BL6
Chemical Name:
2-(Pyrimidin-2-ylthio)acetic acid
CAS Number:
88768-45-0
Molecular Formula:
C6H6N2O2S
Molecular Weight:
170.1890
MDL Number:
MFCD00010287
SMILES:
OC(=O)CSc1ncccn1
Properties
Computed Properties
 
Complexity:
137  
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:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.6  

Downstream Synthesis Route

[1]JournaloftheChemicalSociety,1959,p.525,528

1762-34-1    88768-45-0   
CASUnavailable 
  7732-18-5    2768681-06-5 

[1]Arjmand,Farukh;Tabassum,Sartaj;Yousuf,Shariq[JournalofMolecularStructure,2022,vol.1262]

Literature

Title: An ortho-rhom-bic polymorph of pyrazino-[2,3-f][1,10]phenanthroline-2,3-dicarbonitrile.

Journal: Acta crystallographica. Section E, Structure reports online 20111201

Title: Monoclinic polymorph of 2-(pyrimidin-2-ylsulfan-yl)acetic acid.

Journal: Acta crystallographica. Section E, Structure reports online 20110201

Title: 2-(Pyrimidin-2-ylsulfan-yl)acetic acid.

Journal: Acta crystallographica. Section E, Structure reports online 20090301

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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SDS
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Tags:88768-45-0 Molecular Formula|88768-45-0 MDL|88768-45-0 SMILES|88768-45-0 2-(Pyrimidin-2-ylthio)acetic acid
Catalog No.: AA003BL6
88768-45-0,MFCD00010287
88768-45-0 | 2-(Pyrimidin-2-ylthio)acetic acid
Pack Size: 1g
Purity: 98%
in stock
$29.00 $20.00
Pack Size: 5g
Purity: 98%
in stock
$43.00 $30.00
Quantity
- +
Add to Card
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Technical Information
Catalog Number: AA003BL6
Chemical Name: 2-(Pyrimidin-2-ylthio)acetic acid
CAS Number: 88768-45-0
Molecular Formula: C6H6N2O2S
Molecular Weight: 170.1890
MDL Number: MFCD00010287
SMILES: OC(=O)CSc1ncccn1
Properties
Complexity: 137  
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: 5  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.6  
Downstream Synthesis Route
1450-85-7    79-11-8    88768-45-0 

[1]JournaloftheChemicalSociety,1959,p.525,528

1762-34-1    88768-45-0   
CASUnavailable 
  7732-18-5    2768681-06-5 

[1]Arjmand,Farukh;Tabassum,Sartaj;Yousuf,Shariq[JournalofMolecularStructure,2022,vol.1262]

Literature fold

Title: An ortho-rhom-bic polymorph of pyrazino-[2,3-f][1,10]phenanthroline-2,3-dicarbonitrile.

Journal: Acta crystallographica. Section E, Structure reports online20111201

Title: Monoclinic polymorph of 2-(pyrimidin-2-ylsulfan-yl)acetic acid.

Journal: Acta crystallographica. Section E, Structure reports online20110201

Title: 2-(Pyrimidin-2-ylsulfan-yl)acetic acid.

Journal: Acta crystallographica. Section E, Structure reports online20090301

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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