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14684-56-1 | 4(3H)-Pteridinone, 2-(ethylthio)-
CAS No: 14684-56-1 Catalog No: AG001EE4 MDL No:MFCD24550846
Product Description
Catalog Number:
AG001EE4
Chemical Name:
4(3H)-Pteridinone, 2-(ethylthio)-
CAS Number:
14684-56-1
Molecular Formula:
C8H8N4OS
Molecular Weight:
208.2403
MDL Number:
MFCD24550846
IUPAC Name:
2-ethylsulfanyl-3H-pteridin-4-one
InChI:
InChI=1S/C8H8N4OS/c1-2-14-8-11-6-5(7(13)12-8)9-3-4-10-6/h3-4H,2H2,1H3,(H,10,11,12,13)
InChI Key:
OUKAAMGZZVIMMH-UHFFFAOYSA-N
SMILES:
CCSc1nc2nccnc2c(=O)[nH]1
NSC Number:
90443
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.042g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.239g/mol
Monoisotopic Mass:
208.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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