| CAS Number | 1037010-80-2 |
| Catalog Number | AG00IWA3(AGN-PC-0WAY9Q) |
| Chemical Name | 8-methyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic Acid |
| IUPAC Name | 8-methyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid |
| InChI | InChI=1S/C10H17NO2S/c1-7-2-4-10(5-3-7)11-8(6-14-10)9(12)13/h7-8,11H,2-6H2,1H3,(H,12,13) |
| InChI Key | OSGSVPRXIZFUFN-UHFFFAOYSA-N |
| MDL Number | MFCD06633105 |
| Molecular Formula | C10H17NO2S |
| Molecular Weight | 215.3125 |
| SMILES | S1(C2(NC(C1)C(=O)O)(CCC(C)CC2)) |
| Synonyms | 8-methyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic Acid,
1037010-80-2,
AC1MGER0,
CTK6C0148,
KS-000022XL,
methylthiaazaspirodecanecarboxylicacid,
MFCD06633105,
AKOS005072126,
BE-0761,
MCULE-2677557405,
RP12477,
TR-071137,
SR-01000301737,
SR-01000301737-1,
8-methyl-4-thia-1-azaspiro[4.5]decane-2-carboxylic acid,
CID2985006,
110904-87-5,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.311g/mol |
| Monoisotopic Mass | 215.098g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 74.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number