Basic information
- CAS
6317-22-2- Standard SMILES
CCCCCCN1CSC(=S)N(CCCCCC)C1- InChIKey
GCKQJSDLNOEUFP-UHFFFAOYSA-N- Molecular formula
- C15H30N2S2
- Average molar mass
- 302.5 g/mol
- Monoisotopic mass
- 302.18504131
Names & identifiers
- Preferred name
- 3,5-Dihexyl-1,3,5-thiadiazinane-2-thione
- IUPAC
- 3,5-dihexyl-1,3,5-thiadiazinane-2-thione
- English name
- 3,5-dihexyl-1,3,5-thiadiazinane-2-thione
- Molecular formula
- C15H30N2S2
- Molecular weight
- 302.54
Names & synonyms
6317-22-23,5-dihexyl-1,3,5-thiadiazinane-2-thioneNSC40468DTXSID90979150NSC-404682H-1,3,5-Thiadiazine-2-thione, 3,5-dihexyltetrahydro-
Database identifiers
- CAS
6317-22-2- PubChem CID
- 237173
- DTXSID
DTXSID90979150
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Boiling point
- 388 · 388.0±52.0 °C(Predicted)
- Density
- 1.04 · 1.04±0.1 g/cm3(Predicted)
- pka
- 4.39 · 4.39±0.20(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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