Azetidine, 1-(3,4,5-trimethoxythiobenzoyl)-
Basic information
- CAS
68208-98-0- Standard SMILES
COc1cc(C(=S)N2CCC2)cc(OC)c1OC- InChIKey
FQBLOGPSRNAHTM-UHFFFAOYSA-N- Molecular formula
- C13H17NO3S
- Average molar mass
- 267.35 g/mol
- Monoisotopic mass
- 267.09291458
Names & identifiers
- Preferred name
- Azetidine, 1-(3,4,5-trimethoxythiobenzoyl)-
- IUPAC
- azetidin-1-yl-(3,4,5-trimethoxyphenyl)methanethione
Names & synonyms
1-(3,4,5-Trimethoxythiobenzoyl)azetidineAZETIDINE, 1-(3,4,5-TRIMETHOXYTHIOBENZOYL)-68208-98-0DTXSID90218379RefChem:320325DTXCID60140870(Azetidin-1-yl)(3,4,5-trimethoxyphenyl)methanethione
Database identifiers
- CAS
68208-98-0- PubChem CID
- 50105
- DTXSID
DTXSID90218379- Nikkaji
- J84.710K
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 63 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 282
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Compound notes
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