| CAS Number | 37631-93-9 |
| Catalog Number | AG00J8C1(AGN-PC-0WNO7Z) |
| Chemical Name | 2-(4-Aminothian-4-yl)acetic acid |
| IUPAC Name | 2-(4-aminothian-4-yl)acetic acid |
| InChI | InChI=1S/C7H13NO2S/c8-7(5-6(9)10)1-3-11-4-2-7/h1-5,8H2,(H,9,10) |
| InChI Key | AGEPUGUICFKKBP-UHFFFAOYSA-N |
| MDL Number | MFCD20529375 |
| Molecular Formula | C7H13NO2S |
| Molecular Weight | 175.2486 |
| SMILES | NC1(CCSCC1)CC(O)=O |
| Synonyms | 37631-93-9,
(4-aminotetrahydro-2H-thiopyran-4-yl)acetic acid,
2-(4-aminothian-4-yl)acetic acid,
2-(4-aminotetrahydro-2H-thiopyran-4-yl)acetic acid,
SCHEMBL11577238,
AGEPUGUICFKKBP-UHFFFAOYSA-N,
ALBB-028261,
BBL033154,
MFCD20529375,
STL373202,
ZINC72323998,
AKOS021982885,
MCULE-9758860021,
NS-01456,
4-amino-1-thiacyclohexan-4-yl acetic acid,
2H-THIOPYRAN-4-ACETIC ACID, 4-AMINOTETRAHYDRO-,
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.246g/mol |
| Monoisotopic Mass | 175.067g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 88.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number