| CAS Number | 1183099-68-4 |
| Catalog Number | AG01AHJB(AGN-PC-0WO35T) |
| Chemical Name | 2-[(2,2-Difluoroethyl)sulfanyl]ethan-1-amine |
| IUPAC Name | 2-(2,2-difluoroethylsulfanyl)ethanamine |
| InChI | InChI=1S/C4H9F2NS/c5-4(6)3-8-2-1-7/h4H,1-3,7H2 |
| InChI Key | CNFMEGGPIZMBGP-UHFFFAOYSA-N |
| MDL Number | MFCD12807576 |
| Molecular Formula | C4H9F2NS |
| Molecular Weight | 141.1828 |
| SMILES | NCCSCC(F)F |
| Synonyms | 2-[(2,2-difluoroethyl)sulfanyl]ethan-1-amine,
1183099-68-4,
ZINC37756080,
AKOS010145654,
NE55285,
EN300-74923,
|
| Complexity | 51.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 141.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 141.18g/mol |
| Monoisotopic Mass | 141.042g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number