N-Phenylthiourea - CAS 103-85-5
Catalog: |
BB001238 |
Product Name: |
N-Phenylthiourea |
CAS: |
103-85-5 |
Synonyms: |
phenylthiourea |
IUPAC Name: | phenylthiourea |
Description: | N-Phenylthiourea (CAS# 103-85-5) is used as a reactant in the preparation of disubstituted thiazoles as potential antibacterial and antiinflammatory agents via condensation of phenacyl bromide with thioureas and thiosemicarbazones. |
Molecular Weight: | 152.22 |
Molecular Formula: | C7H8N2S |
Canonical SMILES: | C1=CC=C(C=C1)NC(=S)N |
InChI: | InChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10) |
InChI Key: | FULZLIGZKMKICU-UHFFFAOYSA-N |
Boiling Point: | 266.7 °C at 760 mmHg |
Melting Point: | 145-150 °C (lit.) |
Purity: | 95 % |
Density: | 1.294 g/cm3 |
Appearance: | Needle-like crystals. used in the manufacture of rodenticides and in medical genetics. |
Storage: | Poison room |
Decomposition: | When heated to decomposition ... It emits highly toxic fumes of sulfoxides and nitroxides |
MDL: | MFCD00004933 |
LogP: | 2.11540 |
Stability: | Stable under recommended storage conditions |
Vapor Pressure: | 0.00209 [mmHg] |
GHS Hazard Statement: | H300 (98.65%): Fatal if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P310, P302+P352, P321, P330, P333+P313, P363, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
30291660 | 20181201 | Synthesis, characterization, antioxidant, antidiabetic, anticholinergic, and antiepileptic properties of novel N-substituted tetrahydropyrimidines based on phenylthiourea | Journal of biochemical and molecular toxicology |
25962731 | 20151101 | Comparative analysis of goitrogenic effects of phenylthiourea and methimazole in zebrafish embryos | Reproductive toxicology (Elmsford, N.Y.) |
26051519 | 20150805 | Modulation effects of sweroside isolated from the Lonicera japonica on melanin synthesis | Chemico-biological interactions |
22955840 | 20121201 | Association of schizophrenia with the phenylthiocarbamide taste receptor haplotype on chromosome 7q | Psychiatric genetics |
22999164 | 20121201 | Structural, antimicrobial and computational characterization of 1-benzoyl-3-(5-chloro-2-hydroxyphenyl)thiourea | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
Complexity: | 119 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.04081944 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.04081944 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 70.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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