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107535-23-9 | Pyridinium,2-[(hydroxyimino)[(phenylmethyl)thio]methyl]-1-methyl-, iodide (1:1)
CAS No: 107535-23-9 Catalog No: AG0084LT MDL No:
Product Description
Catalog Number:
AG0084LT
Chemical Name:
Pyridinium,2-[(hydroxyimino)[(phenylmethyl)thio]methyl]-1-methyl-, iodide (1:1)
CAS Number:
107535-23-9
Molecular Formula:
C14H15IN2OS
Molecular Weight:
386.2512
IUPAC Name:
benzyl N-hydroxy-1-methylpyridin-1-ium-2-carboximidothioate;iodide
InChI:
InChI=1S/C14H14N2OS.HI/c1-16-10-6-5-9-13(16)14(15-17)18-11-12-7-3-2-4-8-12;/h2-10H,11H2,1H3;1H
InChI Key:
FPFTXRNDHWNBJZ-UHFFFAOYSA-N
SMILES:
ON=C(c1cccc[n+]1C)SCc1ccccc1.[I-]
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.995g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
386.251g/mol
Monoisotopic Mass:
385.995g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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