AG00EB52

58379-80-9 | 1-METHYL-1-TOSYLMETHYL ISOCYANIDE

AG00EB52

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CAS Number	58379-80-9
Catalog Number	AG00EB52(AGN-PC-0NF3L7)
Chemical Name	1-METHYL-1-TOSYLMETHYL ISOCYANIDE
IUPAC Name	1-(1-isocyanoethylsulfonyl)-4-methylbenzene
InChI	InChI=1S/C10H11NO2S/c1-8-4-6-10(7-5-8)14(12,13)9(2)11-3/h4-7,9H,1-2H3
InChI Key	NGOUPILQFWOEET-UHFFFAOYSA-N
MDL Number	MFCD05664017
Molecular Formula	C10H11NO2S
Molecular Weight	209.2648
SMILES	CC(S(=O)(=O)c1ccc(cc1)C)[N+]#[C-]
Synonyms	58379-80-9, 1-Methyl-1-tosylmethylisocyanide, 1-METHYL-1-TOSYLMETHYL ISOCYANIDE, 1-((1-Isocyanoethyl)sulfonyl)-4-methylbenzene, 1-(1-isocyanoethylsulfonyl)-4-methylbenzene, 1-[(1-isocyanoethyl)sulfonyl]-4-methylbenzene, 1-(1-isocyanoethanesulfonyl)-4-methylbenzene, 1-Tosylethyl isocyanide, Benzene, 1-[(1-isocyanoethyl)sulfonyl]-4-methyl-, J-502862, MFCD05664017, PubChem11882, ACMC-1AYGT, methyltosylmethylisocyanide, SCHEMBL77908, CTK1G8957, DTXSID20453453, NGOUPILQFWOEET-UHFFFAOYSA-N, CS-D1618, ANW-32933, 1-(Toluene-4-sulfonyl)ethylisocyanide, AKOS015842011, 1-(p-toluenesulfonyl)-ethyl isocyanide, AB22213, FCH1376739, GS-4470, RP04711, 1-(toluene-4-sulfonyl)-ethyl isocyanide, AK-28073, BR-28073, SC-50024, AB0025654, DB-072468, ST2414901, TR-020293, 4CH-017661, A8265, FT-0604124, W7150, KS-00002603, EN300-195659, S-4828, 1-(1-isocyano-ethane-sulfonyl)-4-methyl-benzene, 1-(1-isocyano-ethanesulfonyl)-4-methyl-benzene, C10H11NO2S, CID11052885, 1-(1-isocyanoethylsulfonyl)-4-methyl-benzene,

Complexity	325
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.051g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	209.263g/mol
Monoisotopic Mass	209.051g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.9A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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