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158656-07-6 | 4(3H)-Quinazolinone, 3-amino-2-(ethylthio)-
CAS No: 158656-07-6 Catalog No: AG001QPW MDL No:
Product Description
Catalog Number:
AG001QPW
Chemical Name:
4(3H)-Quinazolinone, 3-amino-2-(ethylthio)-
CAS Number:
158656-07-6
Molecular Formula:
C10H11N3OS
Molecular Weight:
221.2788
IUPAC Name:
3-amino-2-ethylsulfanylquinazolin-4-one
InChI:
InChI=1S/C10H11N3OS/c1-2-15-10-12-8-6-4-3-5-7(8)9(14)13(10)11/h3-6H,2,11H2,1H3
InChI Key:
JWCWNJGOFGBRPC-UHFFFAOYSA-N
SMILES:
CCSc1nc2ccccc2c(=O)n1N
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.278g/mol
Monoisotopic Mass:
221.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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