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102423-74-5 | 4H-Thiopyran-3,5-dicarbonitrile, 2,6-diamino-4-(4-methoxyphenyl)-
CAS No: 102423-74-5 Catalog No: AG0007G0 MDL No:MFCD00428438
Product Description
Catalog Number:
AG0007G0
Chemical Name:
4H-Thiopyran-3,5-dicarbonitrile, 2,6-diamino-4-(4-methoxyphenyl)-
CAS Number:
102423-74-5
Molecular Formula:
C14H12N4OS
Molecular Weight:
284.3363
MDL Number:
MFCD00428438
IUPAC Name:
2,6-diamino-4-(4-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
InChI:
InChI=1S/C14H12N4OS/c1-19-9-4-2-8(3-5-9)12-10(6-15)13(17)20-14(18)11(12)7-16/h2-5,12H,17-18H2,1H3
InChI Key:
QJOUOBNQMLXGNN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1C(=C(N)SC(=C1C#N)N)C#N
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.073g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.337g/mol
Monoisotopic Mass:
284.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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