2-((2,4-Dimethylphenyl)thio)aniline


Chemical Name: 2-((2,4-Dimethylphenyl)thio)aniline
CAS Number: 1019453-85-0
Product Number: AG00060Y(AGN-PC-0WAMJC)
Synonyms:
MDL No: MFCD11132336
Molecular Formula: C14H15NS
Molecular Weight: 229.3406

Identification/Properties


Computed Properties
Molecular Weight:
229.341g/mol
XLogP3:
4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
229.093g/mol
Monoisotopic Mass:
229.093g/mol
Topological Polar Surface Area:
51.3A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
219
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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