Basic information
- CAS
35619-66-0- Standard SMILES
COc1cc(C(=S)N2CCSCC2)cc(OC)c1OC- InChIKey
NGUPHJMVCXCOCV-UHFFFAOYSA-N- Molecular formula
- C14H19NO3S2
- Average molar mass
- 313.4 g/mol
- Monoisotopic mass
- 313.08063582
Names & identifiers
- Preferred name
- 4-Thiomorpholinyl(3,4,5-trimethoxyphenyl)methanethione
- IUPAC
- thiomorpholin-4-yl-(3,4,5-trimethoxyphenyl)methanethione
Names & synonyms
35619-66-0RefChem:10717214-Thiomorpholinyl(3,4,5-trimethoxyphenyl)methanethioneBRN 05533781-(3,4,5-Trimethoxythiobenzoyl)-thiomorpholineThiomorpholine, 1-(3,4,5-trimethoxythiobenzoyl)-DTXSID40956991(Thiomorpholin-4-yl)(3,4,5-trimethoxyphenyl)methanethione
Database identifiers
- CAS
35619-66-0- PubChem CID
- 215367
- DTXSID
DTXSID40956991
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 88.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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