AG001X4T

1671-48-3 | 5-Methanesulfonyl-2-methylaniline

AG001X4T

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CAS Number	1671-48-3
Catalog Number	AG001X4T(AGN-PC-0WAM2O)
Chemical Name	5-Methanesulfonyl-2-methylaniline
IUPAC Name	2-methyl-5-methylsulfonylaniline
InChI	InChI=1S/C8H11NO2S/c1-6-3-4-7(5-8(6)9)12(2,10)11/h3-5H,9H2,1-2H3
InChI Key	CVZREHYXQNAPKJ-UHFFFAOYSA-N
MDL Number	MFCD09258802
Molecular Formula	C8H11NO2S
Molecular Weight	185.2434
SMILES	NC1=CC(S(=O)(C)=O)=CC=C1C
Synonyms	2-Methyl-5-(methylsulfonyl)aniline, 1671-48-3, 5-methanesulfonyl-2-methylaniline, 2-methyl-5-(methylsulfonyl)phenylamine, SCHEMBL1368132, 2-methyl-5-methylsulfonylaniline, CTK6B9601, CVZREHYXQNAPKJ-UHFFFAOYSA-N, 5-methanesulphonyl-2-methylaniline, ALBB-025038, KS-000009YV, 5586AJ, KM4086, MFCD09258802, SBB072180, ZINC12504834, AKOS009075743, MCULE-1430618576, TRA0071426, CS-11816, SY030782, Benzenamine, 2-methyl-5-(methylsulfonyl)-, ST45027647, MFCD09258802 (95%), C8H11NO2S, 2-methyl-5-(methylsulfonyl)benzenamine,

Complexity	242
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.051g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	185.241g/mol
Monoisotopic Mass	185.051g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	68.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number