| CAS Number | 1042776-32-8 |
| Catalog Number | AG01A9V5 |
| Chemical Name | 2-methyl-5-(thiomorpholine-4-carbonyl)aniline |
| IUPAC Name | (3-amino-4-methylphenyl)-thiomorpholin-4-ylmethanone |
| InChI | InChI=1S/C12H16N2OS/c1-9-2-3-10(8-11(9)13)12(15)14-4-6-16-7-5-14/h2-3,8H,4-7,13H2,1H3 |
| InChI Key | XZHKQSSQNCYQRL-UHFFFAOYSA-N |
| MDL Number | MFCD11172027 |
| Molecular Formula | C12H16N2OS |
| Molecular Weight | 236.3332 |
| SMILES | CC1=C(N)C=C(C(N2CCSCC2)=O)C=C1 |
| Synonyms | 2-methyl-5-(thiomorpholine-4-carbonyl)aniline,
1042776-32-8,
2-methyl-5-[(thiomorpholin-4-yl)carbonyl]aniline,
AC1Q2FJE,
ZINC20256775,
AKOS009210977,
NE41907,
EN300-66255,
|
| 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 | 1.5 |
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Certificate of Analysis
Lot Number