1-dodecyl-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea
Basic information
- CAS
6942-51-4- Standard SMILES
CCCCCCCCCCCCNC(=S)N/N=C/c1cccc2ccccc12- InChIKey
ZULJURZPKSKYIC-LHLOQNFPSA-N- Molecular formula
- C24H35N3S
- Average molar mass
- 397.6 g/mol
- Monoisotopic mass
- 397.2551693
Names & identifiers
- Preferred name
- 1-dodecyl-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea
- IUPAC
- 1-dodecyl-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea
Names & synonyms
NSC572206942-51-4DTXSID30430119NSC-57220(2E)-N-Dodecyl-2-[(naphthalen-1-yl)methylidene]hydrazine-1-carbothioamide
Database identifiers
- CAS
6942-51-4- PubChem CID
- 9561528
- DTXSID
DTXSID30430119
Properties
Computed structural properties
- XLogP
- 8.4
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 438
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Compound notes
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