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Home Other Building Blocks 2-(Pyrimidin-2-ylthio)acetic acid

2-(Pyrimidin-2-ylthio)acetic acid

CAS No.:
88768-45-0
Catalog Number:
AG003BNY
Molecular Formula:
C6H6N2O2S
Molecular Weight:
170.1890
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$52
- +
5g
98%
1 week
United States
$66
- +
Product Description
Catalog Number:
AG003BNY
Chemical Name:
2-(Pyrimidin-2-ylthio)acetic acid
CAS Number:
88768-45-0
Molecular Formula:
C6H6N2O2S
Molecular Weight:
170.1890
MDL Number:
MFCD00010287
IUPAC Name:
2-pyrimidin-2-ylsulfanylacetic acid
InChI:
InChI=1S/C6H6N2O2S/c9-5(10)4-11-6-7-2-1-3-8-6/h1-3H,4H2,(H,9,10)
InChI Key:
NIEOYUNNKKAQKI-UHFFFAOYSA-N
SMILES:
OC(=O)CSc1ncccn1
EC Number:
289-445-1
Properties
Complexity:
137  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.015g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.186g/mol
Monoisotopic Mass:
170.015g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
88.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
An ortho-rhom-bic polymorph of pyrazino-[2,3-f][1,10]phenanthroline-2,3-dicarbonitrile. Acta crystallographica. Section E, Structure reports online 20111201
Monoclinic polymorph of 2-(pyrimidin-2-ylsulfan-yl)acetic acid. Acta crystallographica. Section E, Structure reports online 20110201
2-(Pyrimidin-2-ylsulfan-yl)acetic acid. Acta crystallographica. Section E, Structure reports online 20090301
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties