188988-49-0
[1-(tert-butoxycarbonyl)indol-3-yl]methylisothiocyanate
Name[1-(tert-butoxycarbonyl)indol-3-yl]methylisothiocyanate
1Identification
【Name】
[1-(tert-butoxycarbonyl)indol-3-yl]methylisothiocyanate
【CAS】
【MDL】
【English Synonyms】
【Formula】
C15H16N2O2S
【MolWeight】
288.365
【Inchi】
InChI=1S/C15H16N2O2S/c1-15(2,3)19-14(18)17-9-11(8-16-10-20)12-6-4-5-7-13(12)17/h4-7,9H,8H2,1-3H3
【InChIKey】
InChIKey=AHFZCCSDCACSNA-UHFFFAOYSA-N
【SMILES】
C(C)(C)(C)OC(=O)N1C=C(C2=CC=CC=C12)CN=C=S
【MOL File】
[1-(tert-butoxycarbo….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
[1-(tert-butoxycarbonyl)indol-3-yl]methylisothiocyanate.cml