[4-(Trifluoromethyl)phenyl]thiourea - CAS 1736-72-7
Catalog: |
BB012940 |
Product Name: |
[4-(Trifluoromethyl)phenyl]thiourea |
CAS: |
1736-72-7 |
Synonyms: |
[4-(trifluoromethyl)phenyl]thiourea |
IUPAC Name: | [4-(trifluoromethyl)phenyl]thiourea |
Description: | An impurirty of Riluzole,Riluzole is a drug used to treat amyotrophic lateral sclerosis. |
Molecular Weight: | 220.21 |
Molecular Formula: | C8H7F3N2S |
Canonical SMILES: | C1=CC(=CC=C1C(F)(F)F)NC(=S)N |
InChI: | InChI=1S/C8H7F3N2S/c9-8(10,11)5-1-3-6(4-2-5)13-7(12)14/h1-4H,(H3,12,13,14) |
InChI Key: | OWTDDZMFRLUBQI-UHFFFAOYSA-N |
Boiling Point: | 203.4 °C at 760 mmHg |
Purity: | 99 % |
Density: | 1.337 g/cm3 |
MDL: | MFCD00041189 |
LogP: | 3.13420 |
GHS Hazard Statement: | H315 (90.7%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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 |
CN-110590785-B | Aminothiazole compound, preparation method thereof and application of aminothiazole compound in resisting enterovirus 71 | 20190923 |
US-2020268615-A1 | Dual-Curing Dental Compositions with High Stability | 20190226 |
Complexity: | 209 |
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: | 2.5 |
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