| CAS Number | 1487438-51-6 |
| Catalog Number | AG01BFRO(AGN-PC-0WOUVY) |
| Chemical Name | [1-(methylsulfanyl)cyclobutyl]methanamine |
| IUPAC Name | (1-methylsulfanylcyclobutyl)methanamine |
| InChI | InChI=1S/C6H13NS/c1-8-6(5-7)3-2-4-6/h2-5,7H2,1H3 |
| InChI Key | BDTNHBMDTCXNFS-UHFFFAOYSA-N |
| MDL Number | MFCD21127196 |
| Molecular Formula | C6H13NS |
| Molecular Weight | 131.2391 |
| SMILES | CSC1(CCC1)CN |
| Synonyms | [1-(methylsulfanyl)cyclobutyl]methanamine,
1487438-51-6,
ZINC83484180,
AKOS014463686,
NE17555,
Z1913645793,
|
| Complexity | 78.6 |
| 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 | 2 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number