76-75-5
Product Name:
(+/-)-THIOPENTAL
Formula:
C11H18N2O2S
Synonyms:
(±)-Thiopental;5-Ethyl-5-(1-methylbutyl)-2-thiobarbituric acid;Pentothal
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Solubility | 3.98e-02 g/L |
| LogP | 2.85 |
| LogS | -3.36 |
| Decomposition | When heated to decomposition it emits very toxic fumes of /nitrogen and sulfur oxides/. |
| Dissociation Constants | 7.55 |
| Kovats Retention Index | 1837 1837 1850 1855 1850 1855 1846 1855 1855 1855 1860 1865 1855 1842 1840 1850 1859 1850 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
COMPUTED DESCRIPTORS
| Molecular Weight | 242.34 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 242.10889899 g/mol |
| Monoisotopic Mass | 242.10889899 g/mol |
| Topological Polar Surface Area | 90.3 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 308 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Thiopental is a barbiturate, the structure of which is that of 2-thiobarbituric acid substituted at C-5 by ethyl and sec-pentyl groups. It has a role as an anticonvulsant, a sedative, an environmental contaminant, a xenobiotic, a drug allergen and an intravenous anaesthetic. It is functionally related to a 2-thiobarbituric acid. It is a conjugate acid of a thiopental(1-).