| CAS Number | 1156220-85-7 |
| Catalog Number | AG01A7YY(AGN-PC-0WO0OV) |
| Chemical Name | 2-Methyl-3-(thiomorpholin-4-ylmethyl)aniline |
| IUPAC Name | 2-methyl-3-(thiomorpholin-4-ylmethyl)aniline |
| InChI | InChI=1S/C12H18N2S/c1-10-11(3-2-4-12(10)13)9-14-5-7-15-8-6-14/h2-4H,5-9,13H2,1H3 |
| InChI Key | PVNZJSSCDHVCQR-UHFFFAOYSA-N |
| MDL Number | MFCD12186437 |
| Molecular Formula | C12H18N2S |
| Molecular Weight | 222.3497 |
| SMILES | CC1=C(CN2CCSCC2)C=CC=C1N |
| Synonyms | 2-methyl-3-(thiomorpholin-4-ylmethyl)aniline,
1156220-85-7,
AC1Q2FB8,
CTK6B3659,
ZINC35649096,
AKOS009538521,
NE24773,
EN300-60227,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.35g/mol |
| Monoisotopic Mass | 222.119g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number