| CAS Number | 1042633-46-4 |
| Catalog Number | AG01A8FB(AGN-PC-0WO11A) |
| Chemical Name | 2-methyl-4-[(thiomorpholin-4-yl)methyl]aniline |
| IUPAC Name | 2-methyl-4-(thiomorpholin-4-ylmethyl)aniline |
| InChI | InChI=1S/C12H18N2S/c1-10-8-11(2-3-12(10)13)9-14-4-6-15-7-5-14/h2-3,8H,4-7,9,13H2,1H3 |
| InChI Key | KXVZIXBZVPWLFS-UHFFFAOYSA-N |
| MDL Number | MFCD11172341 |
| Molecular Formula | C12H18N2S |
| Molecular Weight | 222.3497 |
| SMILES | CC1=C(N)C=CC(CN2CCSCC2)=C1 |
| Synonyms | 2-methyl-4-(thiomorpholin-4-ylmethyl)aniline,
1042633-46-4,
AC1Q2FKJ,
ZINC20257440,
AKOS009211343,
NE15040,
EN300-61478,
2-Methyl-4-(thiomorpholin-4-ylmethyl)aniline, AldrichCPR,
|
| 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 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number