CHEMICAL AND PHYSICAL PROPERTIES
| Boiling Point | 171-172 °C |
|---|---|
| Melting Point | 55-57 °C |
| Solubility | In water, 1.5 mg/L @ 25 °C /Estimated/ |
| Vapor Pressure | 4.3X10-7 mm Hg @ 25 °C /Estimated/ |
| LogP | log Kow = 4.49 |
| Henry's Law Constant | Henry's Law constant = 1.4X10-9 atm-cu m/mol @ 25 °C /Estimated/ |
| Other Experimental Properties | Hydroxyl radical reaction rate constant = 1.9X10-10 cu cm/molec-sec @ 25 °C /Estimated/ |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H361:Reproductive toxicity H362:Reproductive toxicity, effects on or via lactation |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P263:Avoid contact during pregnancy/while nursing. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 295.4 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 295.13947085 g/mol |
| Monoisotopic Mass | 295.13947085 g/mol |
| Topological Polar Surface Area | 28.5 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 363 |
| 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
Dothiepin is a dibenzothiepine. It has a role as an antidepressant and an anticoronaviral agent.