| CAS Number | 220640-14-2 |
| Catalog Number | AG00C250(AGN-PC-0WB6YS) |
| Chemical Name | N-methylthian-4-amine |
| IUPAC Name | N-methylthian-4-amine |
| InChI | InChI=1S/C6H13NS/c1-7-6-2-4-8-5-3-6/h6-7H,2-5H2,1H3 |
| InChI Key | ZPKZOGQAVBTWOZ-UHFFFAOYSA-N |
| MDL Number | MFCD13857451 |
| Molecular Formula | C6H13NS |
| Molecular Weight | 131.2391 |
| SMILES | CNC1CCSCC1 |
| Synonyms | N-methylthian-4-amine,
220640-14-2,
N-methyltetrahydro-2H-thiopyran-4-amine,
SCHEMBL3254661,
ZPKZOGQAVBTWOZ-UHFFFAOYSA-N,
ALBB-012271,
BBL032171,
STL377979,
ZINC35120925,
AKOS005173655,
methyl-(tetrahydrothiopyran-4-yl)amine,
AJ-90719,
methyl(tetrahydro-2H-thiopyran-4-yl)amine,
2H-Thiopyran-4-amine, tetrahydro-N-methyl-,
Y-7082,
N-methyltetrahydro-2H-thiopyran-4-amine(SALTDATA,
methyl(tetrahydro-2H-thiopyran-4-yl)amine hydrochloride,
methyl-(tetrahydro-thiopyran-4-yl)-amine,
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| Complexity | 59.5 |
| 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 | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number