2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-bis(3,4-dimethoxyphenethyl)-
Basic information
- CAS
23514-98-9- Standard SMILES
COc1ccc(CCN2CSC(=S)N(CCc3ccc(OC)c(OC)c3)C2)cc1OC- InChIKey
UKOMXNJCDWIWSI-UHFFFAOYSA-N- Molecular formula
- C23H30N2O4S2
- Average molar mass
- 462.6 g/mol
- Monoisotopic mass
- 462.16469979
Names & identifiers
- Preferred name
- 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-bis(3,4-dimethoxyphenethyl)-
- IUPAC
- 3,5-bis[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-thiadiazinane-2-thione
Names & synonyms
23514-98-92H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-bis(3,4-dimethoxyphenethyl)-DTXSID501780813,5-Bis(3,4-dimethoxyphenethyl)tetrahydro-2H-1,3,5-thiadiazine-2-thioneTetrahydro-3,5-bis(3,4-dimethoxyphenethyl)-2H-1,3,5-thiadiazine-2-thioneNSC 166026RefChem:267741DTXCID801005723,5-bis[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-thiadiazinane-2-thioneNSC166026Cyto8D8Maybridge1_006888
Show more names
Oprea1_501000CHEMBL4549794HMS561B02CCG-237110NSC-1660262H-1,5-Thiadiazine-2-thione, 3,5-bis[2-(3,4-dimethoxyphenyl)ethyl]tetrahydro-
Database identifiers
- CAS
23514-98-9- PubChem CID
- 98794
- DTXSID
DTXSID50178081- ChEMBL
CHEMBL4549794
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 556
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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