| CAS Number | 1094646-31-7 |
| Catalog Number | AG01A8DK(AGN-PC-0WO3GP) |
| Chemical Name | 3-methyl-4-(thiomorpholin-4-yl)aniline |
| IUPAC Name | 3-methyl-4-thiomorpholin-4-ylaniline |
| InChI | InChI=1S/C11H16N2S/c1-9-8-10(12)2-3-11(9)13-4-6-14-7-5-13/h2-3,8H,4-7,12H2,1H3 |
| InChI Key | XVWKDMQTVZABID-UHFFFAOYSA-N |
| MDL Number | MFCD11214021 |
| Molecular Formula | C11H16N2S |
| Molecular Weight | 208.3231 |
| SMILES | CC1=C(N2CCSCC2)C=CC(N)=C1 |
| Synonyms | 3-methyl-4-(thiomorpholin-4-yl)aniline,
1094646-31-7,
AC1Q2EL7,
ZINC36950086,
AKOS009351355,
MCULE-1216542916,
NE42471,
EN300-61375,
Z1262250386,
|
| 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