(2,6-Difluorophenyl)thiourea - CAS 59772-31-5
Catalog: |
BB030493 |
Product Name: |
(2,6-Difluorophenyl)thiourea |
CAS: |
59772-31-5 |
Synonyms: |
(2,6-difluorophenyl)thiourea |
IUPAC Name: | (2,6-difluorophenyl)thiourea |
Description: | (2,6-Difluorophenyl)thiourea (CAS# 59772-31-5) is used in the preparation of anti-tubercular agents. |
Molecular Weight: | 188.20 |
Molecular Formula: | C7H6F2N2S |
Canonical SMILES: | C1=CC(=C(C(=C1)F)NC(=S)N)F |
InChI: | InChI=1S/C7H6F2N2S/c8-4-2-1-3-5(9)6(4)11-7(10)12/h1-3H,(H3,10,11,12) |
InChI Key: | AWPKXPUZILRUDJ-UHFFFAOYSA-N |
Boiling Point: | 240.4 °C at 760 mmHg |
Density: | 1.493 g/cm3 |
MDL: | MFCD05022144 |
LogP: | 2.41400 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021166952-A1 | Method for producing polythioether compound | 20200219 |
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 |
US-10105687-B1 | Heterostructured Bi2S3â€"ZnS photocatalysts and methods thereof | 20170824 |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.02197570 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.02197570 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 70.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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