| CAS Number | 1428233-59-3 |
| Catalog Number | AG018H2W(AGN-PC-0WORVU) |
| Chemical Name | 6-Methyl-1,4-thiazepane |
| IUPAC Name | 6-methyl-1,4-thiazepane |
| InChI | InChI=1S/C6H13NS/c1-6-4-7-2-3-8-5-6/h6-7H,2-5H2,1H3 |
| InChI Key | JARIEFSABMMQON-UHFFFAOYSA-N |
| MDL Number | MFCD21725008 |
| Molecular Formula | C6H13NS |
| Molecular Weight | 131.2391 |
| SMILES | CC1CSCCNC1 |
| Synonyms | 6-methyl-1,4-thiazepane,
1428233-59-3,
AKOS015570023,
MCULE-6522611117,
NE16770,
F2147-1411,
Z1839486537,
|
| 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