126637-09-0
3,8-DIAZA-5-METHYLENE-6,12-DITHIATRICYCLO[7.3.0.0(3,7)]DODECA-1(9),7(8),10-TRIEN-2-ONE
Name3,8-DIAZA-5-METHYLENE-6,12-DITHIATRICYCLO[7.3.0.0(3,7)]DODECA-1(9),7(8),10-TRIEN-2-ONE
1Identification
【Name】
3,8-DIAZA-5-METHYLENE-6,12-DITHIATRICYCLO[7.3.0.0(3,7)]DODECA-1(9),7(8),10-TRIEN-2-ONE
【CAS】
【MDL】
MFCD00245533
【English Synonyms】
【Formula】
C9 H6 N2 O S2
【MolWeight】
222.291
【Inchi】
InChI=1S/C9H6N2OS2/c1-5-4-11-8(12)7-6(2-3-13-7)10-9(11)14-5/h2-3H,1,4H2
【InChIKey】
InChIKey=LABKWNXMMBXBFD-UHFFFAOYSA-N
【SMILES】
C=C1Cn2c(=O)c3c(ccs3)nc2S1
【MOL File】
3,8-DIAZA-5-METHYLEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,8-DIAZA-5-METHYLENE-6,12-DITHIATRICYCLO[7.3.0.0(3,7)]DODECA-1(9),7(8),10-TRIEN-2-ONE.cml