CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White solid; [HSDB] |
|---|---|
| Color/Form | White powder |
| Melting Point | 167 °C |
| Solubility | In water (20 °C), 10.96 mg/L at pH 5; 13.14 mg/L at unadjusted pH; 12.76 mg/L at pH 9 |
| Density | 1.25 g/cu cm at 20.5 °C |
| LogP | log Kow = 2.52 to 2.59 at pH 5 to 9 |
| Henry's Law Constant | Henry's Law constant = 8.61X10-8 atm-cu m/mol at 25 °C (8.72X10-3 Pa-cu m/mol) |
| pH | pH = 4.35 at 25 °C (1% w/v aqueous suspension) |
| Dissociation Constants | No dissociation from pH 1.12 to 12.81 at 20 °C |
| Chemical Classes | Pesticides -> Fungicides |
COMPUTED DESCRIPTORS
| Molecular Weight | 381.5 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 381.15224097 g/mol |
| Monoisotopic Mass | 381.15224097 g/mol |
| Topological Polar Surface Area | 109 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 506 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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
Benthiavalicarb-isopropyl is a carbamate ester that is the isopropyl ester of benthiavalicarb. It is used as an agricultural fungicide. It has a role as an antifungal agrochemical. It is an organofluorine compound, a member of benzothiazoles, a carbamate ester, a valine derivative, a valinamide fungicide, a benzothiazole fungicide, a carbamate fungicide and a secondary carboxamide. It is functionally related to a benthiavalicarb.