AG00374I

61078-14-6 | 1H-Benzimidazole, 1-methyl-2-(methylsulfonyl)-

AG00374I

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CAS Number	61078-14-6
Catalog Number	AG00374I(AGN-PC-0JU7EM)
Chemical Name	1H-Benzimidazole, 1-methyl-2-(methylsulfonyl)-
IUPAC Name	1-methyl-2-methylsulfonylbenzimidazole
InChI	InChI=1S/C9H10N2O2S/c1-11-8-6-4-3-5-7(8)10-9(11)14(2,12)13/h3-6H,1-2H3
InChI Key	VDZVTXFWEKBHBV-UHFFFAOYSA-N
MDL Number	MFCD01470564
Molecular Formula	C9H10N2O2S
Molecular Weight	210.2529
SMILES	Cn1c2ccccc2nc1S(=O)(=O)C
Synonyms	61078-14-6, 1H-benzimidazole, 1-methyl-2-(methylsulfonyl)-, 1-methyl-2-methylsulfonylbenzimidazole, 1-Methyl-2-(methylsulfonyl)benzimidazole, 1-Methyl-2-(methylsulfonyl)-1H-benzo[d]imidazole, ChemDiv2_003382, AC1LD1B9, Cambridge id 5660811, SCHEMBL9695987, CTK2E7480, DTXSID40348796, VDZVTXFWEKBHBV-UHFFFAOYSA-N, HMS1378J16, ZINC255392, AKOS000563056, MCULE-7521614505, BAS 01403343, 2-methylsulfonyl-1-methyl-1H-benzimidazole, 1-Methyl-2-methylsulfonyl-1H-benzoimidazole, M2860, 1-methyl-2-(methylsulfonyl)-1H-benzimidazole, 2-(Methylsulfonyl)-1-methyl-1H-benzimidazole, 2-Methanesulfonyl-1-methyl-1H-benzoimidazole, AB00092227-01, InChI=1/C9H10N2O2S/c1-11-8-6-4-3-5-7(8)10-9(11)14(2,12)13/h3-6H,1-2H, CID640715, ZINC00255392,

Complexity	309
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.046g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	210.251g/mol
Monoisotopic Mass	210.046g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	60.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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