N-Decyl-N'-hexylthiourea
Basic information
- CAS
62552-35-6- Standard SMILES
CCCCCCCCCCNC(=S)NCCCCCC- InChIKey
BKNXMPRWOQQPCS-UHFFFAOYSA-N- Molecular formula
- C17H36N2S
- Average molar mass
- 300.5 g/mol
- Monoisotopic mass
- 300.25992033
Names & identifiers
- Preferred name
- N-Decyl-N'-hexylthiourea
- IUPAC
- 1-decyl-3-hexylthiourea
Names & synonyms
N-Decyl-N'-hexylthiourea62552-35-6SCHEMBL11594628DTXSID60605277
Database identifiers
- CAS
62552-35-6- PubChem CID
- 20322751
- DTXSID
DTXSID60605277
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 14
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 207
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Compound notes
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