![3-(2-methyldibenzo[b,e]thiepin-11(6H)-ylidene)propanoic acid structure](/static/products/112/112930-61-7.png)
3-(2-methyldibenzo[b,e]thiepin-11(6H)-ylidene)propanoic acid
(3Z)-3-(2-methyl-6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid
Also Known As: AE-641/30111011|3-(2-methyldibenzo[b,e]thiepin-11(6H)-ylidene)propanoic acid|AE-641/30103009|(3Z)-3-(2-methyl-6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid
CAS: 112930-61-7
| Molecular Formula | C18H16O2S |
|---|---|
| Molecular Weight | 296.0871 g/mol |
| LogP | 4.50712 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.0871 |
| Monoisotopic Mass | 296.0871 |
| Heavy Atoms | 21 |
| Complexity | 731.7482 |
Chemical Identifiers
| CAS Number | 112930-61-7 |
|---|---|
| SMILES | CC1=CC\2=C(C=C1)SCC3=CC=CC=C3/C2=C/CC(=O)O |
Product Overview
3-(2-methyldibenzo[b,e]thiepin-11(6H)-ylidene)propanoic acid (CAS 112930-61-7), with molecular formula C18H16O2S and molecular weight 296.0871 g/mol. IUPAC: (3Z)-3-(2-methyl-6H-benzo[c][1]benzothiepin-11-ylidene)propanoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
3-(2-methyldibenzo[b,e]thiepin-11(6H)-ylidene)propanoic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »