338779-35-4
1-(3-THIENYL)METHYLENEIMMONIUM-3-PYRAZOLIDINONE-1,2-INNER SALT
Name1-(3-THIENYL)METHYLENEIMMONIUM-3-PYRAZOLIDINONE-1,2-INNER SALT
1Identification
【Name】
1-(3-THIENYL)METHYLENEIMMONIUM-3-PYRAZOLIDINONE-1,2-INNER SALT
【CAS】
【MDL】
MFCD00138858
【English Synonyms】
【Formula】
C8 H8 N2 O S
【MolWeight】
180.23
【Inchi】
InChI=1S/C8H8N2OS/c11-8-1-3-10(9-8)5-7-2-4-12-6-7/h2,4-6H,1,3H2/b10-5+
【InChIKey】
InChIKey=PDALMIHFBVWSQG-BJMVGYQFSA-N
【SMILES】
c1cscc1/C=[N+]/2\CCC(=O)[N-]2
【MOL File】
1-(3-THIENYL)METHYLE….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
1-(3-THIENYL)METHYLENEIMMONIUM-3-PYRAZOLIDINONE-1,2-INNER SALT.cml