AG003S2E

3185-99-7 | 1-Methyl-4-(methylsulfonyl)benzene

AG003S2E

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CAS Number	3185-99-7
Catalog Number	AG003S2E(AGN-PC-0CJC2D)
Chemical Name	1-Methyl-4-(methylsulfonyl)benzene
EC Number	221-682-8
IUPAC Name	1-methyl-4-methylsulfonylbenzene
InChI	InChI=1S/C8H10O2S/c1-7-3-5-8(6-4-7)11(2,9)10/h3-6H,1-2H3
InChI Key	YYDNBUBMBZRNQQ-UHFFFAOYSA-N
MDL Number	MFCD00014742
Molecular Formula	C8H10O2S
Molecular Weight	170.2288
SMILES	S(=O)(=O)(C)c1ccc(cc1)C
UNII	TG77SM513A
Synonyms	methyl 4-toluene sulfonate, methyl p-toluene sulfonate, 3185-99-7, Methyl p-tolyl sulfone, 1-Methyl-4-(methylsulfonyl)benzene, 4-(Methylsulfonyl)toluene, Benzene, 1-methyl-4-(methylsulfonyl)-, p-Tolyl methyl sulfone, Sulfone, methyl p-tolyl, 1-Methanesulfonyl-4-methyl-benzene, 4-(methylsulphonyl)toluene, UNII-TG77SM513A, 1-methyl-4-methylsulfonylbenzene, 4-methylsulfonyltoluene, NSC 2722, 1-Methyl-4-(methylsulfonyl)-benzene, NSC 29038, P-METHYLSULFONYLTOLUENE, TG77SM513A, 1-methanesulfonyl-4-methylbenzene, YYDNBUBMBZRNQQ-UHFFFAOYSA-N, MFCD00014742, 59203-01-9, p-(Methylsulphonyl)toluene, EINECS 221-682-8, Methylp-TolylSulfone, p-tolylmethylsulphone, Ts-Me, Methyl p-tolylsulfone, PubChem18694, Methyl 4-tolyl sulfone, Methyl p-tolyl sulphone, ACMC-1COBY, (p-Tolylsulfonyl)methane, p-methyl sulfonyl toluene, Maybridge4_002299, methyl p-toluene sulfonate, AC1L2C8L, SCHEMBL12807, METHYL 4-TOLYLSULFONE, SCHEMBL9541106, methyl-(4-methylphenyl)sulphone, CHEMBL1088935, DTXSID6075229, methyl (4-methylphenyl) sulfone, 1-Methansulfonyl-4-methylbenzene, CTK6B8976, KS-00000EQM, Sulfone, methyl p-tolyl (8CI), NSC2722, 1-methyl-4-methylsulfonyl-benzene, 4-(Methylsulfonyl)toluene, 97%, HMS1527I11, ZINC165357, 4-methanesulfonyl-1-methyl-benzene, 4-methyl-1-(methylsulfonyl)benzene, NSC-2722, NSC29038, ANW-27211, CCG-49782, NSC-29038, SBB059073, 1-Methyl-4-(methyl-sulphonyl)benzene, 1-Methyl-4-(methylsulfonyl)benzene #, AKOS000352549, FS-1023, MCULE-8985976059, RP23263, RTR-013473, TRA0064484, VZ36770, NCGC00176705-01, AC-18789, AJ-16382, AK-94753, CJ-02276, SY002922, ZB008461, AB1008403, ST2415419, TR-013473, FT-0628801, FT-0695828, M0842, ST45024953, MFCD00014742 (98%), 85M997, Benzene, 1-methyl-4-(methylsulfonyl)- (9CI), C-4882, A821032, AE-095/31500059, I01-3610, J-521718, SR-01000639213-1, W-106873, BRD-K92730216-001-01-4, Benzenesulfinic acid,4-methyl-, methyl ester, [S(S)]-, InChI=1/C8H10O2S/c1-7-3-5-8(6-4-7)11(2,9)10/h3-6H,1-2H, Crystar, methyl-p-toluene sulfonate, Methyl (S)-p-toluenesulfinate, C8H10O2S, 1-METHYL-4- -BENZENE, C8-H10-O2-S, CID18521, 4-(Methylsulfonyl)toluene, 98% - 25G 25g,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.04g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	170.226g/mol
Monoisotopic Mass	170.04g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	42.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number