53492-67-4
3-(2-(2,4,6-TRIMETHYLPHENYL)THIOETHYL)-4-METHYLSYDNONE
Name3-(2-(2,4,6-TRIMETHYLPHENYL)THIOETHYL)-4-METHYLSYDNONE
1Identification
【Name】
3-(2-(2,4,6-TRIMETHYLPHENYL)THIOETHYL)-4-METHYLSYDNONE
【CAS】
【MDL】
MFCD00233634
【English Synonyms】
【Formula】
C14 H18 N2 O2 S
【MolWeight】
278.374
【Inchi】
InChI=1S/C14H18N2O2S/c1-9-7-10(2)13(11(3)8-9)19-6-5-16-12(4)14(17)18-15-16/h7-8H,5-6H2,1-4H3
【InChIKey】
InChIKey=SASVRDKVMXNKBH-UHFFFAOYSA-N
【SMILES】
Cc1cc(c(c(c1)C)SCC[n+]2c(c(on2)[O-])C)C
【MOL File】
3-(2-(2,4,6-TRIMETHY….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
3-(2-(2,4,6-TRIMETHYLPHENYL)THIOETHYL)-4-METHYLSYDNONE.cml