Home Aldehydes 6-Oxo-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde

6-Oxo-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde

CAS No.:
16953-46-1
Catalog Number:
AG007UVG
Molecular Formula:
C5H4N2O2S
Molecular Weight:
156.1625
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$263
- +
Product Description
Catalog Number:
AG007UVG
Chemical Name:
6-Oxo-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde
CAS Number:
16953-46-1
Molecular Formula:
C5H4N2O2S
Molecular Weight:
156.1625
MDL Number:
MFCD09864858
IUPAC Name:
4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde
InChI:
InChI=1S/C5H4N2O2S/c8-2-3-1-4(9)7-5(10)6-3/h1-2H,(H2,6,7,9,10)
InChI Key:
SUXFYENAWRZLPF-UHFFFAOYSA-N
SMILES:
O=Cc1cc(=O)[nH]c(=S)[nH]1
NSC Number:
93220
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.999g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
156.159g/mol
Monoisotopic Mass:
155.999g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
90.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Properties