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Home > Aldehydes > 211245-56-6
211245-56-6 | 5-Pyrimidinecarboxaldehyde, 2-(methylthio)-4-(phenylamino)-
CAS No: 211245-56-6 Catalog No: AG002L91 MDL No:MFCD04115118
Product Description
Catalog Number:
AG002L91
Chemical Name:
5-Pyrimidinecarboxaldehyde, 2-(methylthio)-4-(phenylamino)-
CAS Number:
211245-56-6
Molecular Formula:
C12H11N3OS
Molecular Weight:
245.3002
MDL Number:
MFCD04115118
IUPAC Name:
4-anilino-2-methylsulfanylpyrimidine-5-carbaldehyde
InChI:
InChI=1S/C12H11N3OS/c1-17-12-13-7-9(8-16)11(15-12)14-10-5-3-2-4-6-10/h2-8H,1H3,(H,13,14,15)
InChI Key:
DSFJGNWTXFPBDB-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(nc1Nc1ccccc1)SC
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.062g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.3g/mol
Monoisotopic Mass:
245.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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