| CAS Number | 5322-63-4 |
| Catalog Number | AG01FFZ3(AGN-PC-0KKN0X) |
| Chemical Name | 4-Fluorophenylthioethanol |
| IUPAC Name | 2-(4-fluorophenyl)sulfanylethanol |
| InChI | InChI=1S/C8H9FOS/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4,10H,5-6H2 |
| InChI Key | FWKSXVPFRPLQPN-UHFFFAOYSA-N |
| MDL Number | MFCD03789136 |
| Molecular Formula | C8H9FOS |
| Molecular Weight | 172.2199 |
| SMILES | OCCSc1ccc(cc1)F |
| Synonyms | 4-Fluorophenylthioethanol,
5322-63-4,
2-(4-Fluoro-phenylsulfanyl)-ethanol,
2-[(4-fluorophenyl)thio]ethanol,
2-(4-fluorophenylsulfanyl)ethanol,
AC1MBZQZ,
2-(4-fluorophenylthio)ethanol,
SCHEMBL5256127,
2-(4-fluorophenyl)sulfanylethanol,
FWKSXVPFRPLQPN-UHFFFAOYSA-N,
2-(4-fluorophenylthio)ethan-1-ol,
ZINC2511058,
MFCD03789136,
AKOS009076382,
MCULE-8337958466,
AM100912,
ST51041976,
ZINC02511058,
CID2759148,
|
| Complexity | 102 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.217g/mol |
| Monoisotopic Mass | 172.036g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 45.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number