1-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-3-dodecylthiourea
Basic information
- CAS
6942-55-8- Standard SMILES
CCCCCCCCCCCCNC(=S)N/N=C/c1cccc(OC)c1OC- InChIKey
VPGOFBXKYLEISN-HKOYGPOVSA-N- Molecular formula
- C22H37N3O2S
- Average molar mass
- 407.6 g/mol
- Monoisotopic mass
- 407.26064861
Names & identifiers
- Preferred name
- 1-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-3-dodecylthiourea
- IUPAC
- 1-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-3-dodecylthiourea
Names & synonyms
NSC572246942-55-8DTXSID20430123NSC-57224(2E)-2-[(2,3-Dimethoxyphenyl)methylidene]-N-dodecylhydrazine-1-carbothioamide
Database identifiers
- CAS
6942-55-8- PubChem CID
- 9561532
- DTXSID
DTXSID20430123
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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