AG003B2K

2987-53-3 | 2-(Methylthio)Aniline

AG003B2K

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CAS Number	2987-53-3
Catalog Number	AG003B2K(AGN-PC-0JLPYK)
Chemical Name	2-(Methylthio)Aniline
EC Number	221-055-9
IUPAC Name	2-methylsulfanylaniline
InChI	InChI=1S/C7H9NS/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3
InChI Key	WBRPQQSADOCKCH-UHFFFAOYSA-N
MDL Number	MFCD00007708
Molecular Formula	C7H9NS
Molecular Weight	139.2181
SMILES	Nc1ccccc1SC
Synonyms	2-(methylthio)aniline, 2-(Methylthio)aniline, 2987-53-3, 2-Aminothioanisole, 2-(Methylsulfanyl)aniline, 2-(Methylmercapto)aniline, o-Thioanisidine, 2-Methylmercaptoaniline, o-AMINOTHIOANISOLE, 2-methylsulfanylaniline, Benzenamine, 2-(methylthio)-, o-(methylthio)aniline, EINECS 221-055-9, 2-(Methylthio)aniline, 97%, WBRPQQSADOCKCH-UHFFFAOYSA-N, MFCD00007708, 2-methylthioaniline, 2-amino thioanisole, PubChem10633, ACMC-1CLZE, 2-AMINOTHIOANISOL, AC1L2QOW, AC1Q4GWI, 2-Methylsulfanyl-phenylamine, 2-(methyl mercapto) aniline, 2-(Methylsulfanyl)aniline #, 2-(Methylthio)aniline 96%, SCHEMBL111389, Jsp005649, (2-methylsulfanyl-phenyl)-amine, CTK3J7255, WBRPQQSADOCKCH-UHFFFAOYSA-, DTXSID80183986, ATTERCOP-CHM AT126159, OTAVA-BB 1863894, ZINC391221, KS-00000VQ1, NSC41588, NSC62853, STR00572, ANW-26719, NSC-41588, NSC-62853, STL169557, AKOS000120410, AS04281, MCULE-4877520697, RP20554, RTR-012915, VZ34492, LS-28391, SC-47021, ZB012003, DB-047666, TR-012915, FT-0608855, M1159, X3025, Y-8973, I09-2747, W-106969, F0787-0008, Z1262237459, InChI=1/C7H9NS/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3, 2- aniline, Indriline hydrochloride, C7-H9-N-S, CID76337, 2-(Methylthio)aniline, 98% - 100G 100g, 7022-45-9,

Complexity	85
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	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2810

Certificate of Analysis

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