| CAS Number | 103742-33-2 |
| Catalog Number | AG01A47U(AGN-PC-0WO9Q0) |
| Chemical Name | (Thiomorpholin-3-yl)methanamine |
| IUPAC Name | thiomorpholin-3-ylmethanamine |
| InChI | InChI=1S/C5H12N2S/c6-3-5-4-8-2-1-7-5/h5,7H,1-4,6H2 |
| InChI Key | XQQOTDHTMBHKRA-UHFFFAOYSA-N |
| MDL Number | MFCD19207011 |
| Molecular Formula | C5H12N2S |
| Molecular Weight | 132.2272 |
| SMILES | NCC1NCCSC1 |
| Synonyms | thiomorpholin-3-ylmethanamine,
103742-33-2,
3-Thiomorpholinemethanamine,
SCHEMBL2917308,
(thiomorpholin-3-yl)methanamine,
AKOS006364697,
NE29366,
Z1953525544,
3-aminomethyl-1,4-tetrahydrothiazine,
|
| Complexity | 67.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 132.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 132.225g/mol |
| Monoisotopic Mass | 132.072g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number