175202-59-2
METHYL 4-HYDROXYIMINO-6,6-DIMETHYL-3-(METHYLTHIO)-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBOXYLATE
NameMETHYL 4-HYDROXYIMINO-6,6-DIMETHYL-3-(METHYLTHIO)-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBOXYLATE
1Identification
【Name】
METHYL 4-HYDROXYIMINO-6,6-DIMETHYL-3-(METHYLTHIO)-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBOXYLATE
【CAS】
【MDL】
MFCD02677723
【English Synonyms】
【Formula】
C13 H17 N O3 S2
【MolWeight】
299.413
【Inchi】
InChI=1S/C13H17NO3S2/c1-13(2)5-7-9(8(6-13)14-16)12(18-4)19-10(7)11(15)17-3/h16H,5-6H2,1-4H3/b14-8-
【InChIKey】
InChIKey=SJOCPYUKFOTDAN-ZSOIEALJSA-N
【SMILES】
CC1(Cc2c(c(sc2C(=O)OC)SC)/C(=N\O)/C1)C
【MOL File】
METHYL 4-HYDROXYIMIN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHYL 4-HYDROXYIMINO-6,6-DIMETHYL-3-(METHYLTHIO)-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBOXYLATE.cml