| CAS Number | 237432-14-3 |
| Catalog Number | AG01A7XQ(AGN-PC-0WO6VL) |
| Chemical Name | 2-(Thiomorpholinomethyl)aniline |
| IUPAC Name | 2-(thiomorpholin-4-ylmethyl)aniline |
| InChI | InChI=1S/C11H16N2S/c12-11-4-2-1-3-10(11)9-13-5-7-14-8-6-13/h1-4H,5-9,12H2 |
| InChI Key | ZAEZFXZNLSFHHF-UHFFFAOYSA-N |
| MDL Number | MFCD11172062 |
| Molecular Formula | C11H16N2S |
| Molecular Weight | 208.3231 |
| SMILES | NC1=C(CN2CCSCC2)C=CC=C1 |
| Synonyms | 2-(thiomorpholin-4-ylmethyl)aniline,
237432-14-3,
2-(Thiomorpholinomethyl)aniline,
AC1Q510U,
SCHEMBL4060263,
CTK7D9532,
ZINC20256863,
AKOS009213038,
NE22838,
EN300-60111,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.323g/mol |
| Monoisotopic Mass | 208.103g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number