(3-Fluorophenyl)thiourea - CAS 458-05-9
Catalog: |
BB025983 |
Product Name: |
(3-Fluorophenyl)thiourea |
CAS: |
458-05-9 |
Synonyms: |
(3-fluorophenyl)thiourea |
IUPAC Name: | (3-fluorophenyl)thiourea |
Description: | (3-Fluorophenyl)thiourea (CAS# 458-05-9) is a useful research chemical. |
Molecular Weight: | 170.21 |
Molecular Formula: | C7H7FN2S |
Canonical SMILES: | C1=CC(=CC(=C1)F)NC(=S)N |
InChI: | InChI=1S/C7H7FN2S/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,(H3,9,10,11) |
InChI Key: | YKOBLHQALWQKTC-UHFFFAOYSA-N |
Boiling Point: | 259.3 °C at 760 mmHg |
Density: | 1.397 g/cm3 |
Solubility: | >25.5 [ug/mL] (The mean of the results at pH 7.4) |
MDL: | MFCD00041167 |
LogP: | 2.25450 |
GHS Hazard Statement: | H301 (100%): 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 |
Publication Number | Title | Priority Date |
WO-2021166952-A1 | Method for producing polythioether compound | 20200219 |
CN-112582673-A | Lithium ion battery electrolyte and lithium ion battery | 20190929 |
US-2020102228-A1 | METHODS OF DEGRADING ORGANIC POLLUTANTS AND PREVENTING OR TREATING MICROBE USING Bi2S3-CdS PARTICLES | 20180927 |
US-10934176-B2 | Methods of degrading organic pollutants and preventing or treating microbe using Bi2S3-CdS particles | 20180927 |
US-2021061670-A1 | Method for preventing or reducing growth of a microorganism on a surface | 20180927 |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.03139757 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.03139757 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 70.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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