200,000+ products from a single source!
sales@angenechem.com
16953-46-1 | 4-Pyrimidinecarboxaldehyde,1,2,3,6-tetrahydro-6-oxo-2-thioxo-
CAS No: 16953-46-1 Catalog No: AG007UVG MDL No:MFCD02093562
Product Description
Catalog Number:
AG007UVG
Chemical Name:
4-Pyrimidinecarboxaldehyde,1,2,3,6-tetrahydro-6-oxo-2-thioxo-
CAS Number:
16953-46-1
Molecular Formula:
C5H4N2O2S
Molecular Weight:
156.1625
MDL Number:
MFCD02093562
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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.