| CAS Number | 1425935-32-5 |
| Catalog Number | AG01BFKQ |
| Chemical Name | 2-(Thietan-3-yl)acetic Acid |
| IUPAC Name | 2-(thietan-3-yl)acetic acid |
| InChI | InChI=1S/C5H8O2S/c6-5(7)1-4-2-8-3-4/h4H,1-3H2,(H,6,7) |
| InChI Key | GPJDZMWQGWVIDL-UHFFFAOYSA-N |
| MDL Number | MFCD29762579 |
| Molecular Formula | C5H8O2S |
| Molecular Weight | 132.1808 |
| SMILES | OC(=O)CC1CSC1 |
| Synonyms | 2-(thietan-3-yl)acetic acid,
1425935-32-5,
SCHEMBL14726022,
ZINC82836774,
AKOS022903012,
CS-0056276,
F2147-4270,
|
| Complexity | 98.6 |
| 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 | 2 |
| Topological Polar Surface Area | 62.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number