1-Bromo-4-[(difluoromethyl)thio]benzene - CAS 4837-14-3
Catalog: |
BB026528 |
Product Name: |
1-Bromo-4-[(difluoromethyl)thio]benzene |
CAS: |
4837-14-3 |
Synonyms: |
1-bromo-4-(difluoromethylthio)benzene; 1-bromo-4-(difluoromethylsulfanyl)benzene |
IUPAC Name: | 1-bromo-4-(difluoromethylsulfanyl)benzene |
Description: | 1-Bromo-4-[(difluoromethyl)thio]benzene (CAS# 4837-14-3) is a useful research chemical. |
Molecular Weight: | 239.08 |
Molecular Formula: | C7H5BrF2S |
Canonical SMILES: | C1=CC(=CC=C1SC(F)F)Br |
InChI: | InChI=1S/C7H5BrF2S/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4,7H |
InChI Key: | CPHVJEPYGKUFIB-UHFFFAOYSA-N |
MDL: | MFCD00766771 |
LogP: | 3.76380 |
Publication Number | Title | Priority Date |
CN-105985361-B | Difluoro methylthiolation reagent, preparation method and applications | 20150216 |
US-2015336866-A1 | Synthesis of difluoromethyl ethers and sulfides | 20130101 |
WO-2014107380-A1 | Synthesis of difluoromethyl ethers and sulfides | 20130101 |
EP-2817295-A1 | Substituted 5-aminothieno[2,3-c]pyridazine-6-carboxamide analogs as positive allosteric modulators of the muscarinic acetylcholine receptor m4 | 20120223 |
EP-2817295-B1 | Substituted 5-aminothieno[2,3-c]pyridazine-6-carboxamide analogs as positive allosteric modulators of the muscarinic acetylcholine receptor m4 | 20120223 |
Complexity: | 113 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.92634 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.92634 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 25.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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