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Home > Aldehydes > 1564633-92-6
1564633-92-6 | 2-(1-oxo-1lambda4-thiomorpholin-4-yl)pyrimidine-5-carbaldehyde
CAS No: 1564633-92-6 Catalog No: AG01C8RX MDL No:MFCD26843449
Product Description
Catalog Number:
AG01C8RX
Chemical Name:
2-(1-oxo-1lambda4-thiomorpholin-4-yl)pyrimidine-5-carbaldehyde
CAS Number:
1564633-92-6
Molecular Formula:
C9H11N3O2S
Molecular Weight:
225.2675
MDL Number:
MFCD26843449
IUPAC Name:
2-(1-oxo-1,4-thiazinan-4-yl)pyrimidine-5-carbaldehyde
InChI:
InChI=1S/C9H11N3O2S/c13-7-8-5-10-9(11-6-8)12-1-3-15(14)4-2-12/h5-7H,1-4H2
InChI Key:
KQRDXUFZQXANAG-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(nc1)N1CCS(=O)CC1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.057g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.266g/mol
Monoisotopic Mass:
225.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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