| CAS Number | 1082893-17-1 |
| Catalog Number | AG01AIZG(AGN-PC-0WO55H) |
| Chemical Name | 3-(4-Methylphenyl)thiomorpholine |
| IUPAC Name | 3-(4-methylphenyl)thiomorpholine |
| InChI | InChI=1S/C11H15NS/c1-9-2-4-10(5-3-9)11-8-13-7-6-12-11/h2-5,11-12H,6-8H2,1H3 |
| InChI Key | NEXJMYXPPQMZCK-UHFFFAOYSA-N |
| MDL Number | MFCD11556322 |
| Molecular Formula | C11H15NS |
| Molecular Weight | 193.3085 |
| SMILES | CC1=CC=C(C2NCCSC2)C=C1 |
| Synonyms | 3-(4-methylphenyl)thiomorpholine,
1082893-17-1,
AKOS006315410,
NE24364,
3-(4-Methylphenyl)thiomorpholine, AldrichCPR,
EN300-79413,
3-(4-Methylphenyl)tetrahydro-2H-1,4-thiazine,
Z1269702465,
3-(p-tolyl)thiomorpholine,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.308g/mol |
| Monoisotopic Mass | 193.093g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number