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71199-36-5

71199-36-5 | Pyridinium, 1-[1-cyano-2-(methylthio)-2-(phenylamino)ethenyl]-, iodide

CAS No: 71199-36-5 Catalog No: AG005KCN MDL No:

Product Description

Catalog Number:
AG005KCN
Chemical Name:
Pyridinium, 1-[1-cyano-2-(methylthio)-2-(phenylamino)ethenyl]-, iodide
CAS Number:
71199-36-5
Molecular Formula:
C15H14IN3S
Molecular Weight:
395.2612
IUPAC Name:
3-anilino-3-methylsulfanyl-2-pyridin-1-ium-1-ylprop-2-enenitrile;iodide
InChI:
InChI=1S/C15H14N3S.HI/c1-19-15(17-13-8-4-2-5-9-13)14(12-16)18-10-6-3-7-11-18;/h2-11,17H,1H3;1H/q+1;/p-1
InChI Key:
ZZLTWVCZTLKECA-UHFFFAOYSA-M
SMILES:
N#CC(=C(Nc1ccccc1)SC)[n+]1ccccc1.[I-]

Properties

Complexity:
357  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.995g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
395.262g/mol
Monoisotopic Mass:
394.995g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  

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