1-dodecyl-3-[(E)-(3-hydroxyphenyl)methylideneamino]thiourea
Basic information
- CAS
6942-56-9- Standard SMILES
CCCCCCCCCCCCNC(=S)N/N=C/c1cccc(O)c1- InChIKey
OOMLICLTGIVQRR-OQKWZONESA-N- Molecular formula
- C20H33N3OS
- Average molar mass
- 363.6 g/mol
- Monoisotopic mass
- 363.23443386
Names & identifiers
- Preferred name
- 1-dodecyl-3-[(E)-(3-hydroxyphenyl)methylideneamino]thiourea
- IUPAC
- 1-dodecyl-3-[(E)-(3-hydroxyphenyl)methylideneamino]thiourea
Names & synonyms
NSC572256942-56-9DTXSID80430124NSC-57225(2E)-N-Dodecyl-2-[(3-hydroxyphenyl)methylidene]hydrazine-1-carbothioamide
Database identifiers
- CAS
6942-56-9- PubChem CID
- 9561533
- DTXSID
DTXSID80430124
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 88.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 13
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 363
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Compound notes
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