536-33-4
Product Name:
Ethionamide
Formula:
C8H10N2S
Synonyms:
2-Ethyl-4-pyridinecarbothioamide;Ethionamide
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Ethionamide appears as yellow crystals or canary yellow powder with a faint to moderate sulfide odor. (NTP, 1992) |
|---|---|
| Color/Form | Yellow crystals from ethanol |
| Odor | Faint to moderate sulfide odor |
| Melting Point | 327 to 331 °F (Decomposes) (NTP, 1992) |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| LogP | 0.5 |
| Collision Cross Section | 135.8 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Kovats Retention Index | 1720 1756 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H361:Reproductive toxicity |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
| Molecular Weight | 166.25 g/mol |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 166.05646950 g/mol |
| Monoisotopic Mass | 166.05646950 g/mol |
| Topological Polar Surface Area | 71 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 147 |
| 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
Ethionamide appears as yellow crystals or canary yellow powder with a faint to moderate sulfide odor. (NTP, 1992)