23538-07-0
RHODANINE, 5-ETHYL-3-VERATRYL-
NameRHODANINE, 5-ETHYL-3-VERATRYL-
1Identification
【Name】
RHODANINE, 5-ETHYL-3-VERATRYL-
【CAS】
【MDL】
MFCD01684726
【English Synonyms】
【Formula】
C14 H17 N O3 S2
【MolWeight】
311.424
【Inchi】
InChI=1S/C14H17NO3S2/c1-4-12-13(16)15(14(19)20-12)8-9-5-6-10(17-2)11(7-9)18-3/h5-7,12H,4,8H2,1-3H3
【InChIKey】
InChIKey=VEAMJGBDKDCNFI-UHFFFAOYSA-N
【SMILES】
CCC1C(=O)N(C(=S)S1)Cc2ccc(c(c2)OC)OC
【MOL File】
RHODANINE, 5-ETHYL-3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
RHODANINE, 5-ETHYL-3-VERATRYL-.cml