AG00060Y

1019453-85-0 | Benzenamine, 2-[(2,4-dimethylphenyl)thio]-

AG00060Y

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CAS Number	1019453-85-0
Catalog Number	AG00060Y(AGN-PC-0WAMJC)
Chemical Name	Benzenamine, 2-[(2,4-dimethylphenyl)thio]-
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
MDL Number	MFCD11132336
Molecular Formula	C14H15NS
Molecular Weight	229.3406
SMILES	CC1=C(C=CC(=C1)C)SC1=C(N)C=CC=C1
Synonyms	1019453-85-0, 2-((2,4-Dimethylphenyl)thio)aniline, 2-[(2,4-Dimethylphenyl)sulfanyl]aniline, Benzenamine, 2-[(2,4-dimethylphenyl)thio]-, BEN782, SCHEMBL14723181, KS-00000LFJ, DTXSID10651401, BJHMYQKFVFJZDC-UHFFFAOYSA-N, 2-(2,4-Dimethylphenylthio)aniline, MFCD11132336, ZINC19845562, 2-(2,4-dimethylphenylthio)benzenamine, AKOS000215256, AKOS022347730, AK341188, DS-12247, FT-0700813, J3.556.218D, ACN-040784, 2-(2,4-dimethylphenylthio)benzeneamine, 2-[(2,4-dimethylphenyl)thio]Benzenamine,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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