| CAS Number | 40096-23-9 |
| Catalog Number | AG00C7AM(AGN-PC-0KKOMP) |
| Chemical Name | 3-FLUOROTHIOANISOLE |
| IUPAC Name | (3-fluorophenyl)methanethiol |
| InChI | InChI=1S/C7H7FS/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2 |
| InChI Key | PMZGGJCLPBGARD-UHFFFAOYSA-N |
| MDL Number | MFCD06798004 |
| Molecular Formula | C7H7FS |
| Molecular Weight | 142.1939 |
| SMILES | FC=1C=C(C=CC1)CS |
| Synonyms | (3-fluorophenyl)methanethiol,
40096-23-9,
3-Fluorobenzyl mercaptan,
m-Fluorobenzyl mercaptan,
AC1MC4VY,
Benzenemethanethiol, 3-fluoro-,
SCHEMBL1630471,
CTK1D5523,
DTXSID10375756,
ZINC4244654,
GEO-01429,
MFCD06798004,
AKOS000164019,
FT-0694632,
A824914,
3-Fluorothioanisole,
3-Fluoro thioanisole,
ZINC04244654,
CID2761411,
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| Complexity | 85 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 142.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.191g/mol |
| Monoisotopic Mass | 142.025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number