| CAS Number | 37065-86-4 |
| Catalog Number | AG01A879(AGN-PC-06MOHQ) |
| Chemical Name | 2-Methyl-4-(thiomorpholin-4-yl)aniline |
| IUPAC Name | 2-methyl-4-thiomorpholin-4-ylaniline |
| InChI | InChI=1S/C11H16N2S/c1-9-8-10(2-3-11(9)12)13-4-6-14-7-5-13/h2-3,8H,4-7,12H2,1H3 |
| InChI Key | XEJNWQFAOCDDTQ-UHFFFAOYSA-N |
| MDL Number | MFCD12169152 |
| Molecular Formula | C11H16N2S |
| Molecular Weight | 208.3231 |
| SMILES | CC1=C(N)C=CC(N2CCSCC2)=C1 |
| Synonyms | 2-methyl-4-(thiomorpholin-4-yl)aniline,
37065-86-4,
AC1Q2FKI,
SCHEMBL4764677,
CTK7D8052,
ZINC35277567,
AKOS009470086,
MCULE-8430723353,
NE38404,
EN300-60910,
Z1262250779,
|
| Complexity | 180 |
| 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 | 1 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number