| CAS Number | 161315-14-6 |
| Catalog Number | AG00B9G3(AGN-PC-0Q81C7) |
| Chemical Name | Methyl 4-aminotetrahydro-2H-thiopyran-4-carboxylate hydrochloride |
| IUPAC Name | methyl 4-aminothiane-4-carboxylate;hydrochloride |
| InChI | InChI=1S/C7H13NO2S.ClH/c1-10-6(9)7(8)2-4-11-5-3-7;/h2-5,8H2,1H3;1H |
| InChI Key | YPSZVCJOAQFOAM-UHFFFAOYSA-N |
| MDL Number | MFCD09608000 |
| Molecular Formula | C7H14ClNO2S |
| Molecular Weight | 211.7096 |
| SMILES | Cl.COC(C1(CCSCC1)N)=O |
| Synonyms | 161315-14-6,
methyl 4-aminothiane-4-carboxylate hydrochloride,
Methyl 4-aminotetrahydro-2H-thiopyran-4-carboxylate hydrochloride,
4-Aminotetrahydrothiopyran-4-carboxylic acid methyl ester HCl,
SCHEMBL3928099,
DTXSID60628845,
YPSZVCJOAQFOAM-UHFFFAOYSA-N,
MFCD09608000,
AKOS026743044,
NE14274,
FT-0728798,
A67291,
4-amino-4-carbomethoxy-tetrahydrothiopyran hydrochloride,
Methyl 4-aminothiane-4-carboxylate--hydrogen chloride (1/1),
4-amino-tetrahydro-thiopyran-4-carboxylic acid methyl ester hydrochloride,
4-Amino-tetrahydrothiopyran-4-carboxylic acid methyl ester hydrochloride,
4-AMINOTETRAHYDROTHIOPYRAN-4-CARBOXYLIC ACID METHYL ESTER HYDROCHLORIDE,
4-aminotetrahydro-2H-Thiopyran-4-carboxylic acid methyl ester hydrochloride,
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.704g/mol |
| Monoisotopic Mass | 211.043g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 77.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number