172516-45-9
Product Name:
ETHYL 3-(BENZYLTHIO)-6,6-DIMETHYL-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBOXYLATE
Formula:
C20H22O3S2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 374.5 g/mol |
|---|---|
| XLogP3 | 5.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 374.10103691 g/mol |
| Monoisotopic Mass | 374.10103691 g/mol |
| Topological Polar Surface Area | 96.9 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 499 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
6,6-dimethyl-4-oxo-3-(phenylmethylthio)-5,7-dihydro-2-benzothiophene-1-carboxylic acid ethyl ester is a thiophenecarboxylic acid.