139255-47-3
3-(5-DIMETHYLAMINO-THIEN-2-YL)-5-(2,5-DIHYDRO-5-DIMETHYLIMMONIUM-THIEN-2-YLIDENE)-1,2-DIOXO-CYCLOPENTEN-4-OLATE
Name3-(5-DIMETHYLAMINO-THIEN-2-YL)-5-(2,5-DIHYDRO-5-DIMETHYLIMMONIUM-THIEN-2-YLIDENE)-1,2-DIOXO-CYCLOPENTEN-4-OLATE
1Identification
【Name】
3-(5-DIMETHYLAMINO-THIEN-2-YL)-5-(2,5-DIHYDRO-5-DIMETHYLIMMONIUM-THIEN-2-YLIDENE)-1,2-DIOXO-CYCLOPENTEN-4-OLATE
【CAS】
【MDL】
MFCD00799451
【English Synonyms】
【Formula】
C17 H16 N2 O3 S2
【MolWeight】
360.456
【Inchi】
InChI=1S/C17H16N2O3S2/c1-18(2)11-7-5-9(23-11)13-15(20)14(17(22)16(13)21)10-6-8-12(24-10)19(3)4/h5-8H,1-4H3
【InChIKey】
InChIKey=GTSALPRZWAXKTH-UHFFFAOYSA-N
【SMILES】
CN(C)c1ccc(s1)C2=C(/C(=C/3\C=CC(=[N+](C)C)S3)/C(=O)C2=O)[O-]
【MOL File】
3-(5-DIMETHYLAMINO-T….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(5-DIMETHYLAMINO-THIEN-2-YL)-5-(2,5-DIHYDRO-5-DIMETHYLIMMONIUM-THIEN-2-YLIDENE)-1,2-DIOXO-CYCLOPENTEN-4-OLATE.cml