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88758-53-6 | Ethanimidamide, N-[[(ethylthio)carbonyl]oxy]-2-(8-quinolinyloxy)-
CAS No: 88758-53-6 Catalog No: AG008BLC MDL No:
Product Description
Catalog Number:
AG008BLC
Chemical Name:
Ethanimidamide, N-[[(ethylthio)carbonyl]oxy]-2-(8-quinolinyloxy)-
CAS Number:
88758-53-6
Molecular Formula:
C14H15N3O3S
Molecular Weight:
305.3522
IUPAC Name:
[(1-amino-2-quinolin-8-yloxyethylidene)amino] ethylsulfanylformate
InChI:
InChI=1S/C14H15N3O3S/c1-2-21-14(18)20-17-12(15)9-19-11-7-3-5-10-6-4-8-16-13(10)11/h3-8H,2,9H2,1H3,(H2,15,17)
InChI Key:
LDONSWJOMMFHFD-UHFFFAOYSA-N
SMILES:
CCSC(=O)ONC(=N)COc1cccc2c1nccc2
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.083g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.352g/mol
Monoisotopic Mass:
305.083g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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