| CAS Number | 18133-20-5 |
| Catalog Number | AG00B6B3(AGN-PC-00N5RH) |
| Chemical Name | Tetrahydrothiophene-3-carboxylic Acid |
| IUPAC Name | thiolane-3-carboxylic acid |
| InChI | InChI=1S/C5H8O2S/c6-5(7)4-1-2-8-3-4/h4H,1-3H2,(H,6,7) |
| InChI Key | BSNQHVPRAPQLSW-UHFFFAOYSA-N |
| MDL Number | MFCD11847784 |
| Molecular Formula | C5H8O2S |
| Molecular Weight | 132.1808 |
| SMILES | C1CSCC1C(=O)O |
| Synonyms | thiolane-3-carboxylic acid,
18133-20-5,
Tetrahydro-3-thiophenecarboxylic acid,
tetrahydrothiophene-3-carboxylic acid,
SCHEMBL290165,
BSNQHVPRAPQLSW-UHFFFAOYSA-N,
AKOS006381231,
MCULE-7898686734,
NE50332,
FT-0711318,
F2147-1614,
Z1431904706,
|
| Complexity | 103 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 132.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 132.177g/mol |
| Monoisotopic Mass | 132.025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 62.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number