| CAS Number | 1042798-56-0 |
| Catalog Number | AG01A8AI(AGN-PC-0WO2VU) |
| Chemical Name | 5-chloro-2-(thiomorpholin-4-yl)aniline |
| IUPAC Name | 5-chloro-2-thiomorpholin-4-ylaniline |
| InChI | InChI=1S/C10H13ClN2S/c11-8-1-2-10(9(12)7-8)13-3-5-14-6-4-13/h1-2,7H,3-6,12H2 |
| InChI Key | MZUQCNJZUIWBAJ-UHFFFAOYSA-N |
| MDL Number | MFCD11172049 |
| Molecular Formula | C10H13ClN2S |
| Molecular Weight | 228.7416 |
| SMILES | NC1=C(N2CCSCC2)C=CC(Cl)=C1 |
| Synonyms | 5-chloro-2-(thiomorpholin-4-yl)aniline,
1042798-56-0,
AC1Q50TK,
ZINC20256819,
AKOS009212199,
NE22543,
EN300-61170,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.738g/mol |
| Monoisotopic Mass | 228.049g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number