CHEMICAL AND PHYSICAL PROPERTIES
| Boiling Point | 157.5 °C at 3.00E+00 mm Hg |
|---|---|
| Melting Point | < 25 °C |
| Kovats Retention Index | 1885 |
COMPUTED DESCRIPTORS
| Molecular Weight | 263.4 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 263.08024189 g/mol |
| Monoisotopic Mass | 263.08024189 g/mol |
| Topological Polar Surface Area | 59.7 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 257 |
| 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
Dimethylthiambutene is n,N-Dimethylbut-3-en-2-amine in which each of the hydrogens at position 4 is substituted by a 2-thienyl group. An opioid analgesic drug, it is controlled under the UN Single Convention on Narcotic Drugs (1961), but is used in veterinary medicine, particularly in Japan. It has a role as an opioid analgesic. It is a member of thiophenes and a tertiary amine.