| CAS Number | 1781610-08-9 |
| Catalog Number | AG01AFQ8 |
| Chemical Name | 2-(1,1-Dioxo-1lambda6-thiolan-2-yl)acetic acid |
| IUPAC Name | 2-(1,1-dioxothiolan-2-yl)acetic acid |
| InChI | InChI=1S/C6H10O4S/c7-6(8)4-5-2-1-3-11(5,9)10/h5H,1-4H2,(H,7,8) |
| InChI Key | QAAMMQJXNSQLHE-UHFFFAOYSA-N |
| MDL Number | MFCD30002757 |
| Molecular Formula | C6H10O4S |
| Molecular Weight | 178.2062 |
| SMILES | OC(CC1S(=O)(=O)CCC1)=O |
| Synonyms | 2-(1,1-dioxo-1lambda6-thiolan-2-yl)acetic acid,
1781610-08-9,
2-(1,1-dioxidotetrahydrothiophen-2-yl)acetic acid,
sulfolane-acetic acid,
SCHEMBL5131491,
AKOS024200688,
CS-W023147,
2-(1,1-dioxo-1lambda-thiolan-2-yl)acetic acid,
F2147-4103,
Z2630874436,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.202g/mol |
| Monoisotopic Mass | 178.03g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number