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88757-82-8 | Ethanimidamide, N-[[(methylthio)carbonyl]oxy]-2-(8-quinolinyloxy)-
CAS No: 88757-82-8 Catalog No: AG004CLS MDL No:
Product Description
Catalog Number:
AG004CLS
Chemical Name:
Ethanimidamide, N-[[(methylthio)carbonyl]oxy]-2-(8-quinolinyloxy)-
CAS Number:
88757-82-8
Molecular Formula:
C13H13N3O3S
Molecular Weight:
291.3256
IUPAC Name:
[(1-amino-2-quinolin-8-yloxyethylidene)amino] methylsulfanylformate
InChI:
InChI=1S/C13H13N3O3S/c1-20-13(17)19-16-11(14)8-18-10-6-2-4-9-5-3-7-15-12(9)10/h2-7H,8H2,1H3,(H2,14,16)
InChI Key:
QWPMGHZFADOLLI-UHFFFAOYSA-N
SMILES:
CSC(=O)ONC(=N)COc1cccc2c1nccc2
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.068g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.325g/mol
Monoisotopic Mass:
291.068g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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