148741-30-4
Product Name:
TYRPHOSTIN AG 879
Formula:
C18H24N2OS
Synonyms:
α-Cyano-(3,5-di- t-butyl-4-hydroxy)thiocinnamide;α-Cyano-(3,5-di-t-butyl-4-hydroxy)thiocinnamide;AG 879 - CAS 148741-30-4 - Calbiochem
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 316.5 g/mol |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 316.16093457 g/mol |
| Monoisotopic Mass | 316.16093457 g/mol |
| Topological Polar Surface Area | 102 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 477 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3-amino-2-[(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-3-mercapto-2-propenenitrile is a monoterpenoid.