| CAS Number | 7670-50-0 |
| Catalog Number | AG01BDK4(AGN-PC-0WOTKF) |
| Chemical Name | 5-methyl-1,4-thiazepane |
| IUPAC Name | 5-methyl-1,4-thiazepane |
| InChI | InChI=1S/C6H13NS/c1-6-2-4-8-5-3-7-6/h6-7H,2-5H2,1H3 |
| InChI Key | JDZGEWJZJFNIGZ-UHFFFAOYSA-N |
| MDL Number | MFCD19159799 |
| Molecular Formula | C6H13NS |
| Molecular Weight | 131.2391 |
| SMILES | CC1NCCSCC1 |
| Synonyms | 5-methyl-1,4-thiazepane,
7670-50-0,
AKOS006222326,
MCULE-1424931121,
NE25238,
|
| Complexity | 65.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 131.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 131.237g/mol |
| Monoisotopic Mass | 131.077g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number