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1512562-64-9 | 4-CHLORO-6-(THIOMORPHOLIN-4-YL)PYRIMIDINE-5-CARBALDEHYDE
CAS No: 1512562-64-9 Catalog No: AG01C8HV MDL No:MFCD21755126
Product Description
Catalog Number:
AG01C8HV
Chemical Name:
4-CHLORO-6-(THIOMORPHOLIN-4-YL)PYRIMIDINE-5-CARBALDEHYDE
CAS Number:
1512562-64-9
Molecular Formula:
C9H10ClN3OS
Molecular Weight:
243.7132
MDL Number:
MFCD21755126
IUPAC Name:
4-chloro-6-thiomorpholin-4-ylpyrimidine-5-carbaldehyde
InChI:
InChI=1S/C9H10ClN3OS/c10-8-7(5-14)9(12-6-11-8)13-1-3-15-4-2-13/h5-6H,1-4H2
InChI Key:
KBUWCPLNCWRCGO-UHFFFAOYSA-N
SMILES:
O=Cc1c(ncnc1Cl)N1CCSCC1
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.023g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.709g/mol
Monoisotopic Mass:
243.023g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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