58379-85-4
1-ALLYL-1-TOSYLMETHYL ISOCYANIDE
Name1-ALLYL-1-TOSYLMETHYL ISOCYANIDE
1Identification
【Name】
1-ALLYL-1-TOSYLMETHYL ISOCYANIDE
【CAS】
【MDL】
MFCD05664012
【English Synonyms】
【Formula】
C12 H13 N O2 S
【MolWeight】
235.306
【Inchi】
InChI=1S/C12H13NO2S/c1-4-5-12(13-3)16(14,15)11-8-6-10(2)7-9-11/h4,6-9,12H,1,5H2,2H3
【InChIKey】
InChIKey=OEZHRMOVCQGFOJ-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)S(=O)(=O)C(CC=C)[N+]#[C-]
【MOL File】
1-ALLYL-1-TOSYLMETHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1-ALLYL-1-TOSYLMETHYL ISOCYANIDE.cml