51-52-5
Product Name:
Propylthiouracil
Formula:
C7H10N2OS
Synonyms:
2,3-Dihydro-6-propyl-2-thioxo-4(1H)-pyrimidinone;4-Hydroxy-2-mercapto-6-propylpyrimidine;4-Propyl-2-thiouracil;6-Propyl-2-thiouracil
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | White crystalline powder of starch-like appearance to eye and to touch |
| Taste | Bitter |
| Melting Point | 219 °C |
| Solubility | >25.5 [ug/mL] (The mean of the results at pH 7.4) |
| LogP | 0.4 |
| LogS | -2.15 |
| Stability/Shelf Life | SENSITIVE TO LIGHT |
| Decomposition | When heated to decomposition /temperature unspecified/, propylthiouracil emits toxic fumes of nitrogen oxide and sulfur oxide. |
| pH | Saturated aq soln is neutral or slightly acid to litmus |
| Refractive Index | INDEX OF REFRACTION: 1.5795 @ 25 °C/D |
| Collision Cross Section | 134.7 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Other Experimental Properties | Sensitive to light |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H351:Carcinogenicity |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
| Molecular Weight | 170.23 g/mol |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 170.05138412 g/mol |
| Monoisotopic Mass | 170.05138412 g/mol |
| Topological Polar Surface Area | 73.2 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 223 |
| 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
6-propyl-2-thiouracil is a pyrimidinethione consisting of uracil in which the 2-oxo group is substituted by a thio group and the hydrogen at position 6 is substituted by a propyl group. It has a role as an antithyroid drug, a carcinogenic agent, an antimetabolite, a hormone antagonist, an EC 1.14.13.39 (nitric oxide synthase) inhibitor, an antioxidant and an antidote to paracetamol poisoning. It is functionally related to a uracil.