207743-78-0
tert-butyl 2-isothiocyanato-4,5,6,7-tetrahydrobenzo[b]-thiophene-3-carboxylate
Nametert-butyl 2-isothiocyanato-4,5,6,7-tetrahydrobenzo[b]-thiophene-3-carboxylate
1Identification
【Name】
tert-butyl 2-isothiocyanato-4,5,6,7-tetrahydrobenzo[b]-thiophene-3-carboxylate
【CAS】
【MDL】
【English Synonyms】
【Formula】
C14H17NO2S2
【MolWeight】
295.42
【Inchi】
InChI=1S/C14H17NO2S2/c1-14(2,3)17-13(16)11-9-6-4-5-7-10(9)19-12(11)15-8-18/h4-7H2,1-3H3
【InChIKey】
InChIKey=VQYFBAAUBBICCY-UHFFFAOYSA-N
【SMILES】
N(=C=S)C1=C(C2=C(S1)CCCC2)C(=O)OC(C)(C)C
【MOL File】
tert-butyl 2-isothio….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
tert-butyl 2-isothiocyanato-4,5,6,7-tetrahydrobenzo[b]-thiophene-3-carboxylate.cml