| CAS Number | 1042776-39-5 |
| Catalog Number | AG01A8T8 |
| Chemical Name | 2-Methyl-6-[(thiomorpholin-4-yl)carbonyl]aniline |
| IUPAC Name | (2-amino-3-methylphenyl)-thiomorpholin-4-ylmethanone |
| InChI | InChI=1S/C12H16N2OS/c1-9-3-2-4-10(11(9)13)12(15)14-5-7-16-8-6-14/h2-4H,5-8,13H2,1H3 |
| InChI Key | RMEPSQNGYOPPQQ-UHFFFAOYSA-N |
| MDL Number | MFCD11172028 |
| Molecular Formula | C12H16N2OS |
| Molecular Weight | 236.3332 |
| SMILES | CC1=C(N)C(C(N2CCSCC2)=O)=CC=C1 |
| Synonyms | 2-methyl-6-(thiomorpholine-4-carbonyl)aniline,
1042776-39-5,
2-methyl-6-[(thiomorpholin-4-yl)carbonyl]aniline,
AC1Q2FIT,
ZINC20256779,
AKOS009211138,
NE49427,
EN300-62514,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.333g/mol |
| Monoisotopic Mass | 236.098g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number