| CAS Number | 771573-34-3 |
| Catalog Number | AG00VRQ0(AGN-PC-0WAORD) |
| Chemical Name | 3-(Pentafluorosulphanyl)benzylamine |
| IUPAC Name | [3-(pentafluoro-λ6-sulfanyl)phenyl]methanamine |
| InChI | InChI=1S/C7H8F5NS/c8-14(9,10,11,12)7-3-1-2-6(4-7)5-13/h1-4H,5,13H2 |
| InChI Key | FJOVSWPDVAFUMX-UHFFFAOYSA-N |
| MDL Number | MFCD06213674 |
| Molecular Formula | C7H8F5NS |
| Molecular Weight | 233.2021 |
| SMILES | FS(C=1C=C(CN)C=CC1)(F)(F)(F)F |
| Synonyms | 3-(Pentafluorosulfur)benzylamine,
771573-34-3,
3-(Pentafluorosulphanyl)benzylamine,
MFCD06213674,
3-(Pentafluorothio)benzylamine,
SCHEMBL17749142,
ZINC97950010,
AKOS015957069,
PS-11385,
[3-(pentafluoro-lambda-sulfanyl)phenyl]methanamine,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.2g/mol |
| Monoisotopic Mass | 233.03g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number