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Home > Aldehydes > 185040-35-1
185040-35-1 | 4-(ethylaMino)-2-(Methylthio)pyriMidine-5-carbaldehyde
CAS No: 185040-35-1 Catalog No: AG003953 MDL No:MFCD12911523
Product Description
Catalog Number:
AG003953
Chemical Name:
4-(ethylaMino)-2-(Methylthio)pyriMidine-5-carbaldehyde
CAS Number:
185040-35-1
Molecular Formula:
C8H11N3OS
Molecular Weight:
197.2574
MDL Number:
MFCD12911523
IUPAC Name:
4-(ethylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde
InChI:
InChI=1S/C8H11N3OS/c1-3-9-7-6(5-12)4-10-8(11-7)13-2/h4-5H,3H2,1-2H3,(H,9,10,11)
InChI Key:
GHSAKUXIRGLXHH-UHFFFAOYSA-N
SMILES:
CCNc1nc(SC)ncc1C=O
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.062g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.256g/mol
Monoisotopic Mass:
197.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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