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915920-24-0 | 2-(SEC-BUTYLTHIO)PYRIMIDINE-5-CARBALDEHYDE
CAS No: 915920-24-0 Catalog No: AG006GLI MDL No:MFCD08752993
Product Description
Catalog Number:
AG006GLI
Chemical Name:
2-(SEC-BUTYLTHIO)PYRIMIDINE-5-CARBALDEHYDE
CAS Number:
915920-24-0
Molecular Formula:
C9H12N2OS
Molecular Weight:
196.2694
MDL Number:
MFCD08752993
IUPAC Name:
2-butan-2-ylsulfanylpyrimidine-5-carbaldehyde
InChI:
InChI=1S/C9H12N2OS/c1-3-7(2)13-9-10-4-8(6-12)5-11-9/h4-7H,3H2,1-2H3
InChI Key:
NPHSORTVIACXRD-UHFFFAOYSA-N
SMILES:
CCC(Sc1ncc(cn1)C=O)C
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.067g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.268g/mol
Monoisotopic Mass:
196.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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