AG003T5G

40736-26-3 | 1-(Methylsulfonyl)-1H-Imidazole

AG003T5G

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CAS Number	40736-26-3
Catalog Number	AG003T5G(AGN-PC-0JS9SN)
Chemical Name	1-(Methylsulfonyl)-1H-Imidazole
EC Number	255-058-1
IUPAC Name	1-methylsulfonylimidazole
InChI	InChI=1S/C4H6N2O2S/c1-9(7,8)6-3-2-5-4-6/h2-4H,1H3
InChI Key	ZBHRCOWHFHJZFP-UHFFFAOYSA-N
MDL Number	MFCD00014496
Molecular Formula	C4H6N2O2S
Molecular Weight	146.1676
SMILES	O=S(N1C=NC=C1)(C)=O
Synonyms	N-Methanesulfonylimidazole, 40736-26-3, 1-(Methylsulfonyl)-1H-imidazole, 1-methylsulfonylimidazole, 1-Methanesulfonylimidazole, 1-(Methylsulphonyl)-1H-imidazole, ZBHRCOWHFHJZFP-UHFFFAOYSA-N, MFCD00014496, 1-Mesylimidazole, EINECS 255-058-1, 1-Mesyl-1H-imidazole, ACMC-20ak2l, 1-(Methylsulfonyl)imidazole, AC1LAV00, 1-methylsulfonyl-1h-imidazole, SCHEMBL187487, CTK4I3646, DTXSID90193718, 1H-Imidazole,1-(methylsulfonyl)-, ZINC2560514, 1-(Methylsulfonyl)-1H-imidazole #, 1H-Imidazole, 1-(methylsulfonyl)-, 2799AE, FCH918574, AKOS006227809, MCULE-9510593883, ACM40736263, DB-049642, TC-165684, FT-0629295, ST50824017, A825262, C-51827, I14-27148, (methylsulfonyl)imidazole, C4H6N2O2S, C4-H6-N2-O2-S, CID521009, ZINC02560514, 1H-Imidazole, 1-(methylsulfonyl)- (9CI),

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	146.015g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	146.164g/mol
Monoisotopic Mass	146.015g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	60.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

GHS Hazard and Precautionary Statements

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

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