| CAS Number | 89211-29-0 |
| Catalog Number | AG01A56V(AGN-PC-02OMKS) |
| Chemical Name | 4-hydroxy-1lambda4-thian-1-one |
| IUPAC Name | 1-oxothian-4-ol |
| InChI | InChI=1S/C5H10O2S/c6-5-1-3-8(7)4-2-5/h5-6H,1-4H2 |
| InChI Key | SCLZSKSUHKAOBE-UHFFFAOYSA-N |
| MDL Number | MFCD15201588 |
| Molecular Formula | C5H10O2S |
| Molecular Weight | 134.1967 |
| SMILES | OC1CCS(=O)CC1 |
| Synonyms | 4-hydroxy-1lambda4-thian-1-one,
89211-29-0,
4-hydroxy-1lambda-thian-1-one,
SCHEMBL10816892,
SCHEMBL10816895,
ZINC42354349,
AKOS010826742,
tetrahydro-2H-thiopyran-4-ol 1-oxide,
4-hydroxy-1$l^{4}-thian-1-one,
4-hydroxytetrahydro-2H-thiopyran 1-oxide,
|
| Complexity | 92.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 134.040151g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 134.2g/mol |
| Monoisotopic Mass | 134.040151g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 56.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number