CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | MINUTE CRYSTALS, PRISMS, OR WHITE OR PALE CREAM-COLORED POWDER |
|---|---|
| Odor | ODORLESS |
| Taste | BITTER TASTE |
| Melting Point | NO DEFINITE MP, ABOUT 340 °C WITH DECOMP |
| Solubility | VERY SLIGHTLY SOL IN WATER (1:2000); PRACTICALLY INSOL IN ETHER, ACIDS; READILY SOL IN ALKALINE SOLN |
| Collision Cross Section | 119.87 Ų [M+H]+ |
| Other Experimental Properties | FORMS PPT & COMPLEXES WITH HEAVY METALS & OTHER COMPD; REACTS WITH VARIOUS SULFHYDRYL REAGENTS |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Health Hazard GHS08 |
| GHS Hazard Statements |
H351:Carcinogenicity |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 128.15 g/mol |
|---|---|
| XLogP3 | -0.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 128.00443393 g/mol |
| Monoisotopic Mass | 128.00443393 g/mol |
| Topological Polar Surface Area | 73.2 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 163 |
| 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
Thiouracil is a nucleobase analogue that is uracil in which the oxo group at C-2 is replaced by a thioxo group. It has a role as an antithyroid drug and a metabolite. It is a thiocarbonyl compound and a nucleobase analogue. It is functionally related to a uracil.