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58379-80-9

Basic Information
CAS No.: 58379-80-9
Name: 1-METHYL-1-TOSYLMETHYL ISOCYANIDE
Article Data: 13
Molecular Structure:
Molecular Structure of 58379-80-9 (1-METHYL-1-TOSYLMETHYL ISOCYANIDE)
Formula: C10H11NO2S
Molecular Weight: 209.269
Synonyms: 1-Tosylethylisocyanide;a-Tosylethylisocyanide;
Melting Point: 46 °C
PSA: 42.52000
LogP: 2.34550
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    Chemical Name:1-Methyl-1-tosylmethylisocyanide CAS No.:58379-80-9 Molecular Formula:C10H11NO2S Molecular Weight:209.269 Hs Code.:2926909090 European Community (EC) Number:688-477-7 DSSTox Substance ID:DTXSID20453453 Nikkaji Number:J2.195.692

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Specification

This chemical is called Benzene, 1-[(1-isocyanoethyl)sulfonyl]-4-methyl-, and its systematic name is 1-[(1-isocyanoethyl)sulfonyl]-4-methylbenzene. With the molecular formula of C10H11NO2S, its molecular weight is 209.26. The CAS registry number of this chemical is 58379-80-9.

Other characteristics of the Benzene, 1-[(1-isocyanoethyl)sulfonyl]-4-methyl- can be summarised as followings: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 46.88 Å2.

You can still convert the following datas into molecular structure:
1.SMILES: O=S(=O)(c1ccc(cc1)C)C([N+]#[C-])C
2.InChI: InChI=1/C10H11NO2S/c1-8-4-6-10(7-5-8)14(12,13)9(2)11-3/h4-7,9H,1-2H3
3.InChIKey: NGOUPILQFWOEET-UHFFFAOYAG