| CAS Number | 878204-82-1 |
| Catalog Number | AG01BC6U(AGN-PC-0KKON5) |
| Chemical Name | (2,6-Difluorophenyl)methanethiol |
| IUPAC Name | (2,6-difluorophenyl)methanethiol |
| InChI | InChI=1S/C7H6F2S/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4H2 |
| InChI Key | WPLAKERHHWPZCA-UHFFFAOYSA-N |
| MDL Number | MFCD06798019 |
| Molecular Formula | C7H6F2S |
| Molecular Weight | 160.1843 |
| SMILES | FC1=C(CS)C(F)=CC=C1 |
| Synonyms | (2,6-difluorophenyl)methanethiol,
2,6-Difluorobenzyl mercaptan,
878204-82-1,
AC1MC4XA,
SCHEMBL3163556,
CTK8A8811,
ZINC4244663,
(2,6-difluoro-phenyl)-methanethiol,
MFCD06798019,
AKOS006286988,
2,6-difluorobenzyl mercaptan, AldrichCPR,
ZINC04244663,
CID2761427,
|
| Complexity | 97.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.182g/mol |
| Monoisotopic Mass | 160.016g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number