| CAS Number | 30058-79-8 |
| Catalog Number | AG00JSAN(AGN-PC-0NIT3W) |
| Chemical Name | 5,6-Dihydro-2H-thiopyran-3-carbaldehyde |
| EC Number | 608-440-0 |
| IUPAC Name | 3,6-dihydro-2H-thiopyran-5-carbaldehyde |
| InChI | InChI=1S/C6H8OS/c7-4-6-2-1-3-8-5-6/h2,4H,1,3,5H2 |
| InChI Key | QCOHPZFHFSPQNW-UHFFFAOYSA-N |
| MDL Number | MFCD12546919 |
| Molecular Formula | C6H8OS |
| Molecular Weight | 128.1921 |
| SMILES | O=CC1CSCCC=1 |
| Synonyms | 5,6-dihydro-2h-thiopyran-3-carbaldehyde,
30058-79-8,
5,6-dihydro-2H-thiopyran-3-carboxaldehyde,
SCHEMBL618357,
QCOHPZFHFSPQNW-UHFFFAOYSA-N,
BBL102649,
MFCD12546919,
STL556453,
ZINC35973692,
3-Formyl-5,6-dihydro-2-H-thiopyran,
AKOS017344847,
3,6-Dihydro-2H-thiopyran-5-carbaldehyde,
FT-0705450,
|
| Complexity | 118 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 128.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 128.189g/mol |
| Monoisotopic Mass | 128.03g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number