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Home > Aldehydes > 878433-13-7
878433-13-7 | 2-Isobutylsulfanyl-pyrimidine-5-carbaldehyde
CAS No: 878433-13-7 Catalog No: AG01EY4G MDL No:
Product Description
Catalog Number:
AG01EY4G
Chemical Name:
2-Isobutylsulfanyl-pyrimidine-5-carbaldehyde
CAS Number:
878433-13-7
Molecular Formula:
C9H12N2OS
Molecular Weight:
196.2694
IUPAC Name:
2-(2-methylpropylsulfanyl)pyrimidine-5-carbaldehyde
InChI:
InChI=1S/C9H12N2OS/c1-7(2)6-13-9-10-3-8(5-12)4-11-9/h3-5,7H,6H2,1-2H3
InChI Key:
SOKKVDAOKZVIGD-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(nc1)SCC(C)C
Properties
Complexity:
156
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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