AG003T5F

50257-39-1 | 1-(Mesitylsulfonyl)-1H-imidazole

AG003T5F

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CAS Number	50257-39-1
Catalog Number	AG003T5F(AGN-PC-0JM3OQ)
Chemical Name	1-(Mesitylsulfonyl)-1H-imidazole
EC Number	256-507-4
IUPAC Name	1-(2,4,6-trimethylphenyl)sulfonylimidazole
InChI	InChI=1S/C12H14N2O2S/c1-9-6-10(2)12(11(3)7-9)17(15,16)14-5-4-13-8-14/h4-8H,1-3H3
InChI Key	XFHVQSPNDDOABS-UHFFFAOYSA-N
MDL Number	MFCD00005284
Molecular Formula	C12H14N2O2S
Molecular Weight	250.3168
NSC Number	240873
SMILES	O=S(N1C=CN=C1)(C2=C(C)C=C(C)C=C2C)=O
Synonyms	50257-39-1, 1-(Mesitylsulfonyl)-1H-imidazole, 1-(2-Mesitylenesulfonyl)imidazole, N-(Mesitylenesulfonyl)imidazole, N-MESITYLENESULFONYLIMIDAZOLE, 1-(2,4,6-Trimethylphenylsulfonyl)imidazole, 1-((2,4,6-Trimethylphenyl)sulphonyl)-1H-imidazole, MFCD00005284, 1H-Imidazole, 1-[(2,4,6-trimethylphenyl)sulfonyl]-, AK-90148, 2,4,6-Trimethylbenzenesulfonyl imidazolide, 1-(2,4,6-trimethylphenyl)sulfonylimidazole, 1-(2,4,6-Trimethylbenzenesulfonyl)imidazole, [(2,4,6-trimethylphenyl)sulfonyl]imidazole, EINECS 256-507-4, NSC240873, ACMC-209kkw, AC1Q6TOO, Mesitylenesulfonylimidazole, Oprea1_260670, Mesitylenesulfonyl-1-imidazole, SCHEMBL841998, 1-(Mesitylenesulfonyl)imidazole, AC1L40Z8, IFLab1_000555, ZINC57616, DTXSID20198251, XFHVQSPNDDOABS-UHFFFAOYSA-N, HMS1413J05, 1-(Mesitylene-2-sulfonyl)imidazole, 1-(Mesitylsulfonyl)-1H-imidazole #, ANW-30942, AKOS000595744, MCULE-9116668656, NSC-240873, RL03846, VZ22424, IDI1_008774, TRA-0194373, AJ-09752, AS-11373, SY019078, ZB002185, AB0009743, AX8013980, TC-119687, FT-0628236, M0625, ST24026955, ST50171495, ST51006770, M-1598, 1-(2,4,6-Trimethylphenylsulfonyl)-1H-imidazole, MFCD00005284 (97+%), 1-(2,4,6-trimethylbenzenesulfonyl)-1H-imidazole, SR-01000316536, 1-[(2,4,6-Trimethylphenyl)sulfonyl]-1H-imidazole, J-503028, SR-01000316536-1, C12H14N2O2S, CID99556, AR-1K0068, C12-H14-N2-O2-S, 2,4,6-Trimethylbenzenesulfonylimidazole, 1-[(2,4,6-trimethylphenyl)sulphonyl]-1H-imidazole, 1-(2-Mesitylenesulfonyl)imidazole, 98% - 100G 100g, 51991-94-7, MSI,

Complexity	351
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	250.078g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	250.316g/mol
Monoisotopic Mass	250.078g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	60.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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