1-octadecyl-3-[(E)-pyridin-4-ylmethylideneamino]thiourea
Basic information
- CAS
6958-24-3- Standard SMILES
CCCCCCCCCCCCCCCCCCNC(=S)N/N=C/c1ccncc1- InChIKey
ORSYGWXOXOGXLP-WEMUOSSPSA-N- Molecular formula
- C25H44N4S
- Average molar mass
- 432.7 g/mol
- Monoisotopic mass
- 432.32866859
Names & identifiers
- Preferred name
- 1-octadecyl-3-[(E)-pyridin-4-ylmethylideneamino]thiourea
- IUPAC
- 1-octadecyl-3-[(E)-pyridin-4-ylmethylideneamino]thiourea
Names & synonyms
NSC64615NSC-64615
Database identifiers
- CAS
6958-24-3- PubChem CID
- 9561587
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 19
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 408
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Compound notes
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