AG003K94

104-96-1 | 4-(Methylthio)aniline

AG003K94

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CAS Number	104-96-1
Catalog Number	AG003K94(AGN-PC-0JL6Y2)
Chemical Name	4-(Methylthio)aniline
EC Number	203-256-3
IUPAC Name	4-methylsulfanylaniline
InChI	InChI=1S/C7H9NS/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3
InChI Key	YKFROQCFVXOUPW-UHFFFAOYSA-N
MDL Number	MFCD00007889
Molecular Formula	C7H9NS
Molecular Weight	139.2181
NSC Number	75842
SMILES	NC1=CC=C(SC)C=C1
Synonyms	thioanisidine, 4-(Methylthio)aniline, 104-96-1, 4-Aminothioanisole, 4-(Methylmercapto)aniline, p-(Methylthio)aniline, p-Thioanisidine, Benzenamine, 4-(methylthio)-, p-Aminothioanisole, p-Thiomethoxyaniline, 4-(Methylsulfanyl)aniline, 4-(Methylthio)benzenamine, Thioanisidine, p-Aminophenyl methyl sulfide, Aniline, p-(methylthio)-, 4-Amino thioanisole, 4-methylsulfanylaniline, 4-Methylmercaptoaniline, 4-methylthioaniline, NSC 75842, EINECS 203-256-3, MFCD00007889, BRN 0774506, 4-(Methylthio)aniline, 98%, YKFROQCFVXOUPW-UHFFFAOYSA-N, 4-(Methyl-Mercapto)Aniline Hydrochloride, 4-methylthio-aniline, 4-methylthiophenylamine, PubChem10636, 4-(methylthio) aniline, 4-AMINOTHIOANISOL, AC1Q4GZR, AC1Q4GZS, 4-methylsulfanylphenylamine, ACMC-2098eb, 4-(methylmercapto) aniline, 4-(methylmercapto)-aniline, 4-methylsulfanyl-phenylamine, AC1L24HH, AC1Q53DL, (4-(Methylthio)phenyl)amine, 4-(Methylsulfanyl)aniline #, KSC490K3B, 4-amino-phenyl methyl sulfide, SCHEMBL112595, Jsp000481, (4-methylsulfanyl-phenyl)-amine, DTXSID7059309, CTK3J0530, TIMTEC-BB SBB006658, ATTERCOP-CHM AT126167, AKOS 91153, KS-00000X8W, NSC75842, STR05801, ZINC4244883, ANW-15153, NSC-75842, SBB006658, STL164365, AKOS000121048, AS04283, CS-W020630, MCULE-9161522951, PS-3196, RP20552, RTR-001064, TRA0038259, VZ28334, AC-10934, AK305358, CJ-11679, L576, LS-19906, SC-15251, DB-006662, TR-001064, FT-0601038, M1674, Y-8808, Y11061, A801114, I09-1398, J-513769, F2144-0013, 4JM, 4-(methylthio)anilin, C7H9NS, p-(Methylmercapto)aniline, C7-H9-N-S, CID66038, 4-Amino thioanisole, 98% - 25G 25g, 4-13-00-01289 (Beilstein Handbook Reference),

Complexity	77
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	139.046g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	139.216g/mol
Monoisotopic Mass	139.046g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	51.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3334

Certificate of Analysis

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