Basic information
- CAS
23514-97-8- Standard SMILES
COc1ccc(CN2CSC(=S)N(Cc3ccc(OC)c(OC)c3)C2)cc1OC- InChIKey
RIJLJKBUALKRIF-UHFFFAOYSA-N- Molecular formula
- C21H26N2O4S2
- Average molar mass
- 434.6 g/mol
- Monoisotopic mass
- 434.13339966
Names & identifiers
- Preferred name
- 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-diveratryl-
- IUPAC
- 3,5-bis[(3,4-dimethoxyphenyl)methyl]-1,3,5-thiadiazinane-2-thione
Names & synonyms
23514-97-82H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-diveratryl-Tetrahydro-3,5-diveratryl-2H-1,3,5-thiadiazine-2-thioneDTXSID90178080RefChem:267742DTXCID201005713,5-bis[(3,4-dimethoxyphenyl)methyl]-1,3,5-thiadiazinane-2-thioneOprea1_468454
Database identifiers
- CAS
23514-97-8- PubChem CID
- 211664
- DTXSID
DTXSID90178080
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 527
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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