2-Thiobarbituric acid - CAS 504-17-6
Catalog: |
BB027046 |
Product Name: |
2-Thiobarbituric acid |
CAS: |
504-17-6 |
Synonyms: |
2-sulfanylidene-1,3-diazinane-4,6-dione |
IUPAC Name: | 2-sulfanylidene-1,3-diazinane-4,6-dione |
Description: | 2-Thiobarbituric acid (CAS# 504-17-6 ) is a useful research chemical. |
Molecular Weight: | 144.15 |
Molecular Formula: | C4H4N2O2S |
Canonical SMILES: | C1C(=O)NC(=S)NC1=O |
InChI: | InChI=1S/C4H4N2O2S/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9) |
InChI Key: | RVBUGGBMJDPOST-UHFFFAOYSA-N |
Boiling Point: | 463.4 °C at 760 mmHg |
Melting Point: | 240-255 °C |
Purity: | 98 % |
Density: | 1.69 g/cm3 |
Appearance: | Off-white to yellow powder |
Storage: | Store in a tightly closed container. Keep under a nitrogen blanket. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00006674 |
LogP: | -0.43500 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
33219891 | 20210801 | Squalene deters drivers of RCC disease progression beyond VHL status | Cell biology and toxicology |
33347680 | 20210401 | [6]-Gingerol impedes 7,12-dimethylbenz(a)anthracene-induced inflammation and cell proliferation-associated hamster buccal pouch carcinogenesis through modulating Nrf2 signaling events | Journal of biochemical and molecular toxicology |
32946155 | 20210201 | Ameliorative effect of ferruginol on isoprenaline hydrochloride-induced myocardial infarction in rats | Environmental toxicology |
32886819 | 20210101 | Crocin treatment promotes the oxidative stress and apoptosis in human thyroid cancer cells FTC-133 through the inhibition of STAT/JAK signaling pathway | Journal of biochemical and molecular toxicology |
32869927 | 20201201 | The molecular effect of 1,4,7-triazacyclononane on oxidative stress parameters in human hepatocellular carcinoma (HepG2) cells | Journal of biochemical and molecular toxicology |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 143.99934855 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 143.99934855 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 90.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.9 |
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