| CAS Number | 53916-78-2 |
| Catalog Number | AG019ZVA(AGN-PC-0WO7C7) |
| Chemical Name | (Thian-2-yl)methanol |
| IUPAC Name | thian-2-ylmethanol |
| InChI | InChI=1S/C6H12OS/c7-5-6-3-1-2-4-8-6/h6-7H,1-5H2 |
| InChI Key | QXROWXWPJAPLAL-UHFFFAOYSA-N |
| MDL Number | MFCD20535180 |
| Molecular Formula | C6H12OS |
| Molecular Weight | 132.2239 |
| SMILES | OCC1SCCCC1 |
| Synonyms | thian-2-ylmethanol,
53916-78-2,
(Tetrahydro-2H-thiopyran-2-yl)methanol,
SCHEMBL7430990,
AKOS019025648,
(Tetrahydro-thiopyran-2-yl)-methanol,
|
| Complexity | 65.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 132.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 132.221g/mol |
| Monoisotopic Mass | 132.061g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number