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1074-68-6 | 2-METHYLSULFANYL-PYRIMIDINE-4-CARBALDEHYDE
CAS No: 1074-68-6 Catalog No: AG008RA4 MDL No:MFCD02683211
Product Description
Catalog Number:
AG008RA4
Chemical Name:
2-METHYLSULFANYL-PYRIMIDINE-4-CARBALDEHYDE
CAS Number:
1074-68-6
Molecular Formula:
C6H6N2OS
Molecular Weight:
154.1896
MDL Number:
MFCD02683211
IUPAC Name:
2-methylsulfanylpyrimidine-4-carbaldehyde
InChI:
InChI=1S/C6H6N2OS/c1-10-6-7-3-2-5(4-9)8-6/h2-4H,1H3
InChI Key:
QGJXHPACBLAFFJ-UHFFFAOYSA-N
SMILES:
CSc1nccc(n1)C=O
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.02g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.187g/mol
Monoisotopic Mass:
154.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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