Allylthiourea - CAS 109-57-9
Catalog: |
BB002512 |
Product Name: |
Allylthiourea |
CAS: |
109-57-9 |
Synonyms: |
prop-2-enylthiourea |
IUPAC Name: | prop-2-enylthiourea |
Description: | Allylthiourea is a metabolic inhibitor that selective inhibits ammonia oxidation. |
Molecular Weight: | 116.18 |
Molecular Formula: | C4H8N2S |
Canonical SMILES: | C=CCNC(=S)N |
InChI: | InChI=1S/C4H8N2S/c1-2-3-6-4(5)7/h2H,1,3H2,(H3,5,6,7) |
InChI Key: | HTKFORQRBXIQHD-UHFFFAOYSA-N |
Boiling Point: | 191.3 °C at 760 mmHg |
Melting Point: | 158 to 172 °F |
Purity: | > 98 % |
Density: | 1.084 g/cm3 |
Solubility: | >17.4 [ug/mL] (The mean of the results at pH 7.4) |
Appearance: | Allylthiourea is a white crystalline solid with a slight garlic odor |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00004940 |
LogP: | 1.09680 |
GHS Hazard Statement: | H301 (99.48%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
22644483 | 20121101 | Ecophysiology of an ammonia-oxidizing archaeon adapted to low-salinity habitats | Microbial ecology |
22884733 | 20121015 | Isolation and characterization of a facultative methanotroph degrading malodor-causing volatile sulfur compounds | Journal of hazardous materials |
22402397 | 20120901 | Evidence for the direct oxidation of organic nitrogen to N2 gas in the Arabian Sea | The ISME journal |
22072124 | 20120501 | Growth of ammonia-oxidizing archaea and bacteria in cattle manure compost under various temperatures and ammonia concentrations | Microbial ecology |
22720411 | 20120401 | Impact of solid retention time and nitrification capacity on the ability of activated sludge to remove pharmaceuticals | Environmental technology |
Complexity: | 79.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 116.04081944 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 116.04081944 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 70.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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