898552-73-3
4-isothiocyanato-3,3-dimethyl-butyric acid ethyl ester
Name4-isothiocyanato-3,3-dimethyl-butyric acid ethyl ester
1Identification
【Name】
4-isothiocyanato-3,3-dimethyl-butyric acid ethyl ester
【CAS】
【MDL】
【English Synonyms】
【Formula】
C9H15NO2S
【MolWeight】
201.286
【Inchi】
InChI=1S/C9H15NO2S/c1-4-12-8(11)5-9(2,3)6-10-7-13/h4-6H2,1-3H3
【InChIKey】
InChIKey=QVRQBZUSTASSNH-UHFFFAOYSA-N
【SMILES】
C(C)OC(CC(CN=C=S)(C)C)=O
【MOL File】
4-isothiocyanato-3,3….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
4-isothiocyanato-3,3-dimethyl-butyric acid ethyl ester.cml