AG006ZNK

4543-58-2 | 2,4,6-Trimethylbenzenesulfonamide

AG006ZNK

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CAS Number	4543-58-2
Catalog Number	AG006ZNK(AGN-PC-0JNUUX)
Chemical Name	2,4,6-Trimethylbenzenesulfonamide
IUPAC Name	2,4,6-trimethylbenzenesulfonamide
InChI	InChI=1S/C9H13NO2S/c1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-5H,1-3H3,(H2,10,11,12)
InChI Key	YECJUZIGFPJWGQ-UHFFFAOYSA-N
MDL Number	MFCD00463245
Molecular Formula	C9H13NO2S
Molecular Weight	199.2700
NSC Number	87569
SMILES	O=S(C1=C(C)C=C(C)C=C1C)(N)=O
Synonyms	2,4,6-trimethylbenzenesulfonamide, 4543-58-2, 2,4,6-Trimethylbenzenesulphonamide, 2,4,6-trimethylbenzene-1-sulfonamide, benzenesulfonamide, 2,4,6-trimethyl-, NSC87569, 2-Mesitylenesulfonamide, PubChem24038, AC1Q6TOM, Cambridge id 5103994, CBDivE_002201, SCHEMBL113366, BENZENESULFONAMIDE, 2,4,6-TRIMETHYL- (9CI), AC1L5Z64, 2,4,6-trimethylbenzenesulfamide, CTK4I8802, DTXSID50293162, ZINC185211, 6256AB, MFCD00463245, NSC-87569, STK410910, AKOS000146938, MCULE-3774289240, PS-3666, VZ22423, KS-00002A06, AJ-17690, SC-59768, DB-023662, FT-0693068, ST50913394, K-9030, Z45415571, F0808-2044, F1A, C9H13NO2S, AR-1H8735, Benzenesulfonamide,2,4,6-trimethyl-, CID258545, 46300-01-0,

Complexity	256
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.067g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	199.268g/mol
Monoisotopic Mass	199.067g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	68.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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