[3-(Trifluoromethyl)phenyl]thiourea - CAS 1736-70-5
Catalog: |
BB012939 |
Product Name: |
[3-(Trifluoromethyl)phenyl]thiourea |
CAS: |
1736-70-5 |
Synonyms: |
[3-(trifluoromethyl)phenyl]thiourea |
IUPAC Name: | [3-(trifluoromethyl)phenyl]thiourea |
Description: | [3-(Trifluoromethyl)phenyl]thiourea (CAS# 1736-70-5) is a useful research chemical. |
Molecular Weight: | 220.21 |
Molecular Formula: | C8H7F3N2S |
Canonical SMILES: | C1=CC(=CC(=C1)NC(=S)N)C(F)(F)F |
InChI: | InChI=1S/C8H7F3N2S/c9-8(10,11)5-2-1-3-6(4-5)13-7(12)14/h1-4H,(H3,12,13,14) |
InChI Key: | WKRUQAYFMKZMPJ-UHFFFAOYSA-N |
Boiling Point: | 264.6 °C at 760 mmHg |
Melting Point: | 104-108 °C (lit.) |
Purity: | 95 % |
Density: | 1.457 g/cm3 |
Appearance: | White solid |
MDL: | MFCD00041171 |
LogP: | 3.13420 |
GHS Hazard Statement: | H302 (88.64%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P333+P313, P337+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111410283-A | Agent for removing chloride ions in strongly acidic copper-containing wastewater and method for removing chloride by using same | 20200416 |
WO-2021166952-A1 | Method for producing polythioether compound | 20200219 |
US-2021230153-A1 | Aryl hydrocarbon receptor (ahr) agonists and uses thereof | 20191220 |
WO-2021127301-A1 | 4-phenyl-n-(phenyl)thiazol-2-amine derivatives and related compounds as aryl hydrocarbon receptor (ahr) agonists for the treatment of e.g. angiogenesis implicated or inflammatory disorders | 20191220 |
US-2020268615-A1 | Dual-Curing Dental Compositions with High Stability | 20190226 |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.02820389 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.02820389 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 70.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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