1-cyclohexyl-3-[(E)-[(11Z)-11-(cyclohexylcarbamothioylhydrazinylidene)dodecan-2-ylidene]amino]thiourea
Basic information
- CAS
18667-40-8- Standard SMILES
C/C(CCCCCCCC/C(C)=N/NC(=S)NC1CCCCC1)=N/NC(=S)NC1CCCCC1- InChIKey
XOFHAGGJYKABPY-DWVPNOFWSA-N- Molecular formula
- C26H48N6S2
- Average molar mass
- 508.8 g/mol
- Monoisotopic mass
- 508.3381879
Names & identifiers
- Preferred name
- 1-cyclohexyl-3-[(E)-[(11Z)-11-(cyclohexylcarbamothioylhydrazinylidene)dodecan-2-ylidene]amino]thiourea
- IUPAC
- 1-cyclohexyl-3-[(E)-[(11Z)-11-(cyclohexylcarbamothioylhydrazinylidene)dodecan-2-ylidene]amino]thiourea
Names & synonyms
NSC9104918667-40-8DTXSID30418871NSC-91049(2Z)-N-Cyclohexyl-2-{(11E)-11-[2-(cyclohexylcarbamothioyl)hydrazinylidene]dodecan-2-ylidene}hydrazine-1-carbothioamide
Database identifiers
- CAS
18667-40-8- PubChem CID
- 5380262
- DTXSID
DTXSID30418871
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 596
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Compound notes
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