N-{3-[(2-Ethylhexyl)oxy]propyl}-N'-pentylthiourea
Basic information
- CAS
62552-00-5- Standard SMILES
CCCCCNC(=S)NCCCOCC(CC)CCCC- InChIKey
AXGDJGCZKFUZAL-UHFFFAOYSA-N- Molecular formula
- C17H36N2OS
- Average molar mass
- 316.5 g/mol
- Monoisotopic mass
- 316.25483495
Names & identifiers
- Preferred name
- N-{3-[(2-Ethylhexyl)oxy]propyl}-N'-pentylthiourea
- IUPAC
- 1-[3-(2-ethylhexoxy)propyl]-3-pentylthiourea
Names & synonyms
62552-00-5N-{3-[(2-Ethylhexyl)oxy]propyl}-N'-pentylthioureaSCHEMBL11595000DTXSID00605236
Database identifiers
- CAS
62552-00-5- PubChem CID
- 20322706
- DTXSID
DTXSID00605236
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 237
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Compound notes
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