23538-06-9
RHODANINE, 5-METHYL-3-VERATRYL-
NameRHODANINE, 5-METHYL-3-VERATRYL-
1Identification
【Name】
RHODANINE, 5-METHYL-3-VERATRYL-
【CAS】
【MDL】
MFCD01684673
【English Synonyms】
【Formula】
C13 H15 N O3 S2
【MolWeight】
297.397
【Inchi】
InChI=1S/C13H15NO3S2/c1-8-12(15)14(13(18)19-8)7-9-4-5-10(16-2)11(6-9)17-3/h4-6,8H,7H2,1-3H3
【InChIKey】
InChIKey=LPNTXMJPOZSTGU-UHFFFAOYSA-N
【SMILES】
CC1C(=O)N(C(=S)S1)Cc2ccc(c(c2)OC)OC
【MOL File】
RHODANINE, 5-METHYL-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
RHODANINE, 5-METHYL-3-VERATRYL-.cml