| CAS Number | 111073-09-7 |
| Catalog Number | AG01C20G(AGN-PC-02KY0W) |
| Chemical Name | 3-(Tert-butyl)thiomorpholine |
| IUPAC Name | 3-tert-butylthiomorpholine |
| InChI | InChI=1S/C8H17NS/c1-8(2,3)7-6-10-5-4-9-7/h7,9H,4-6H2,1-3H3 |
| InChI Key | APKFOODJUNXXGQ-UHFFFAOYSA-N |
| MDL Number | MFCD20287214 |
| Molecular Formula | C8H17NS |
| Molecular Weight | 159.2923 |
| SMILES | CC(C)(C)C1CSCCN1 |
| Synonyms | 3-tert-butylthiomorpholine,
111073-09-7,
3-(tert-butyl)thiomorpholine,
SCHEMBL10345513,
AKOS013604242,
J3.568.359C,
Z2240988418,
|
| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 159.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 159.291g/mol |
| Monoisotopic Mass | 159.108g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number