1,5-Bis(furan-2-ylmethyl)-1,3,5-triazinane-2-thione
Basic information
- CAS
799799-37-4- Standard SMILES
S=C1NCN(Cc2ccco2)CN1Cc1ccco1- InChIKey
KNZYHFLKSJRQOB-UHFFFAOYSA-N- Molecular formula
- C13H15N3O2S
- Average molar mass
- 277.34 g/mol
- Monoisotopic mass
- 277.0884979
Names & identifiers
- Preferred name
- 1,5-Bis(furan-2-ylmethyl)-1,3,5-triazinane-2-thione
- IUPAC
- 1,5-bis(furan-2-ylmethyl)-1,3,5-triazinane-2-thione
Names & synonyms
1,5-bis(furan-2-ylmethyl)-1,3,5-triazinane-2-thione799799-37-41,5-Bis[(furan-2-yl)methyl]-1,3,5-triazinane-2-thioneMLS000769873CHEMBL1598777DTXSID901333689HMS2788K12STL168727AKOS005366960SMR000434606ST450741171,5-Bis-furan-2-ylmethyl-[1,3,5]triazinane-2-thione
Show more names
1,5-bis(2-furylmethyl)-1,3,5-triazaperhydroine-2-thione
Database identifiers
- CAS
799799-37-4- PubChem CID
- 951189
- DTXSID
DTXSID901333689- ChEMBL
CHEMBL1598777
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 76.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 329
Experimental & physicochemical properties
Solubility40.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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