23945-50-8
Product Name:
2-THIOURACIL-5-CARBOXYLIC ACID
Formula:
C5H4N2O3S
Synonyms:
2-Thiouracil-5-carboxylic acid;5-Carboxy-4-hydroxy-2-thiopyrimidine
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Powder; [Sigma-Aldrich MSDS] |
|---|---|
| Chemical Classes | Other Uses -> Biochemical Research |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 172.16 g/mol |
|---|---|
| XLogP3 | -0.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 171.99426317 g/mol |
| Monoisotopic Mass | 171.99426317 g/mol |
| Topological Polar Surface Area | 111 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 271 |
| 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 |