| CAS Number | 76176-82-4 |
| Catalog Number | AG00GGES(AGN-PC-05D2OH) |
| Chemical Name | 3-Methylthiomorpholine |
| IUPAC Name | 3-methylthiomorpholine |
| InChI | InChI=1S/C5H11NS/c1-5-4-7-3-2-6-5/h5-6H,2-4H2,1H3 |
| InChI Key | KZZPRWYOUNLBQK-UHFFFAOYSA-N |
| MDL Number | MFCD11137728 |
| Molecular Formula | C5H11NS |
| Molecular Weight | 117.2125 |
| SMILES | CC1NCCSC1 |
| Synonyms | 3-methylthiomorpholine,
76176-82-4,
Thiomorpholine, 3-methyl-,
SCHEMBL16235,
KZZPRWYOUNLBQK-UHFFFAOYSA-N,
AKOS000223782,
AKOS016903171,
MCULE-2923436126,
EN300-76445,
Z1250132359,
|
| Complexity | 56 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 117.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 117.21g/mol |
| Monoisotopic Mass | 117.061g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number