(2E,2'E)-2,2'-[(1E,5E)-Pentane-1,5-diylidene]bis(N-hexadecylhydrazine-1-carbothioamide)
Basic information
- CAS
6344-02-1- Standard SMILES
CCCCCCCCCCCCCCCCNC(=S)N/N=C/CCC/C=N/NC(=S)NCCCCCCCCCCCCCCCC- InChIKey
MSNSRNRATKQYAP-HONGLRJRSA-N- Molecular formula
- C39H78N6S2
- Average molar mass
- 695.2 g/mol
- Monoisotopic mass
- 694.57293886
Names & identifiers
- Preferred name
- (2E,2'E)-2,2'-[(1E,5E)-Pentane-1,5-diylidene]bis(N-hexadecylhydrazine-1-carbothioamide)
- IUPAC
- 1-hexadecyl-3-[(E)-[(5E)-5-(hexadecylcarbamothioylhydrazinylidene)pentylidene]amino]thiourea
Names & synonyms
6344-02-1DTXSID00422445(2E,2'E)-2,2'-[(1E,5E)-Pentane-1,5-diylidene]bis(N-hexadecylhydrazine-1-carbothioamide)
Database identifiers
- CAS
6344-02-1- PubChem CID
- 9560985
- DTXSID
DTXSID00422445
Properties
Computed structural properties
- XLogP
- 15.4
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 36
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 658
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Compound notes
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