2,6-Dimethyl-4H-pyran-4-thione
Basic information
- CAS
1004-37-1- Standard SMILES
Cc1cc(=S)cc(C)o1- InChIKey
RZGQBLWMLLDDKL-UHFFFAOYSA-N- Molecular formula
- C7H8OS
- Average molar mass
- 140.2 g/mol
- Monoisotopic mass
- 140.02958605
Names & identifiers
- Preferred name
- 2,6-Dimethyl-4H-pyran-4-thione
- IUPAC
- 2,6-dimethylpyran-4-thione
- English name
- 2,6-Dimethylpyran-4(4H)-thione
- Molecular formula
- C7H8OS
- Molecular weight
- 140.2
Names & synonyms
2,6-Dimethyl-4H-pyran-4-thione1004-37-12,6-Dimethyl-4-thiopyrone4H-Pyran-4-thione, 2,6-dimethyl-WH3TYZ5G4VNSC-75204DTXSID80143247RefChem:1060276DTXCID90657382,6-Dimethylpyran-4-thione2,6-DIMETHYLPYRAN-4(4H)-THIONENSC 75204
Show more names
BRN 0107420NSC752044H-Pyran-4-thione,2,6-dimethyl-MFCD00154298UNII-WH3TYZ5G4VNCIOpen2_0008895-17-09-00412 (Beilstein Handbook Reference)F1029-0068
Database identifiers
- CAS
1004-37-1- PubChem CID
- 96456
- DTXSID
DTXSID80143247- UNII
- WH3TYZ5G4V
- Nikkaji
- J51.185D
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 41.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- CAS DataBase Reference
- 1004 · 1004-37-1
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 3 TYZ5G4V · WH3TYZ5G4V
- Comptox DTXSID
- 80143247 · DTXSID80143247
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2932999099 · 2932999099
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2932999099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…