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1019453-85-0,MFCD11132336
Catalog No.:AA0005Y6
1019453-85-0 | 2-[(2,4-Dimethylphenyl)sulfanyl]aniline
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50mg
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$688.00   $482.00
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250mg
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Technical Information
Catalog Number:
AA0005Y6
Chemical Name:
2-[(2,4-Dimethylphenyl)sulfanyl]aniline
CAS Number:
1019453-85-0
Molecular Formula:
C14H15NS
Molecular Weight:
229.3406
MDL Number:
MFCD11132336
IUPAC Name:
2-(2,4-dimethylphenyl)sulfanylaniline
InChI:
InChI=1S/C14H15NS/c1-10-7-8-13(11(2)9-10)16-14-6-4-3-5-12(14)15/h3-9H,15H2,1-2H3
InChI Key:
BJHMYQKFVFJZDC-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)Sc1ccccc1N
Properties
Computed Properties
 
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.093g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.341g/mol
Monoisotopic Mass:
229.093g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  

Synonyms
 
1019453-85-0 
2-((2,4-Dimethylphenyl)thio)aniline 
MFCD11132336 
ZINC19845562 
2-(2,4-dimethylphenylthio)benzenamine 
AKOS000215256 
AKOS022347730 
AK341188 
DS-12247 
FT-0700813 
J3.556.218D 
ACN-040784 
2-[(2,4-Dimethylphenyl)sulfanyl]aniline 
2-(2,4-dimethylphenylthio)benzeneamine 
2-[(2,4-dimethylphenyl)thio]Benzenamine 
Benzenamine, 2-[(2,4-dimethylphenyl)thio]- 
BEN782 
SCHEMBL14723181 
KS-00000LFJ 
DTXSID10651401 
BJHMYQKFVFJZDC-UHFFFAOYSA-N 
2-(2,4-Dimethylphenylthio)aniline 
Literature
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