Home Aldehydes 2-(2-(Methylthio)pyrimidin-4-yl)malonaldehyde

2-(2-(Methylthio)pyrimidin-4-yl)malonaldehyde

CAS No.:
77168-37-7
Catalog Number:
AG0055HH
Molecular Formula:
C8H8N2O2S
Molecular Weight:
196.2263
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
50mg
tech grade
In Stock USA
United States
$294
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Product Description
Catalog Number:
AG0055HH
Chemical Name:
2-(2-(Methylthio)pyrimidin-4-yl)malonaldehyde
CAS Number:
77168-37-7
Molecular Formula:
C8H8N2O2S
Molecular Weight:
196.2263
MDL Number:
MFCD12756163
IUPAC Name:
2-(2-methylsulfanylpyrimidin-4-yl)propanedial
InChI:
InChI=1S/C8H8N2O2S/c1-13-8-9-3-2-7(10-8)6(4-11)5-12/h2-6H,1H3
InChI Key:
ARQRGYFOBLEOBL-UHFFFAOYSA-N
SMILES:
O=CC(c1ccnc(n1)SC)C=O
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.031g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.224g/mol
Monoisotopic Mass:
196.031g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties