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477845-50-4 | 2-(ethylsulfanyl)-1-methyl-5-[(1E)-(2-phenylhydrazin-1-ylidene)methyl]-1H-imidazole
CAS No: 477845-50-4 Catalog No: AG00IRZZ MDL No:MFCD02082541
Product Description
Catalog Number:
AG00IRZZ
Chemical Name:
2-(ethylsulfanyl)-1-methyl-5-[(1E)-(2-phenylhydrazin-1-ylidene)methyl]-1H-imidazole
CAS Number:
477845-50-4
Molecular Formula:
C13H16N4S
Molecular Weight:
260.3579
MDL Number:
MFCD02082541
IUPAC Name:
N-[(2-ethylsulfanyl-3-methylimidazol-4-yl)methylideneamino]aniline
InChI:
InChI=1S/C13H16N4S/c1-3-18-13-14-9-12(17(13)2)10-15-16-11-7-5-4-6-8-11/h4-10,16H,3H2,1-2H3
InChI Key:
KDANUBQYZCPYAK-UHFFFAOYSA-N
SMILES:
CCSc1ncc(n1C)/C=N/Nc1ccccc1
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.11g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.359g/mol
Monoisotopic Mass:
260.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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