1-[(Z)-[(2E)-2-benzylideneheptylidene]amino]-3-[(E)-[(2E)-2-benzylideneheptylidene]amino]thiourea
Basic information
- CAS
6956-34-9- Standard SMILES
CCCCCC(/C=N\NC(=S)N/N=C/C(=C/c1ccccc1)CCCCC)=C\c1ccccc1- InChIKey
LGNIKDPAZKTRIY-UHFFFAOYSA-N- Molecular formula
- C29H38N4S
- Average molar mass
- 474.7 g/mol
- Monoisotopic mass
- 474.2817184
Names & identifiers
- Preferred name
- 1-[(Z)-[(2E)-2-benzylideneheptylidene]amino]-3-[(E)-[(2E)-2-benzylideneheptylidene]amino]thiourea
- IUPAC
- 1-[(Z)-[(2E)-2-benzylideneheptylidene]amino]-3-[(E)-[(2E)-2-benzylideneheptylidene]amino]thiourea
- English name
- 1,3-bis(2-benzylideneheptylideneamino)thiourea
- Molecular formula
- C29H38N4S
- Molecular weight
- 474.71
Names & synonyms
6956-34-9NSC65020NSC-650201,3-bis(2-benzylideneheptylideneamino)thiourea
Database identifiers
- CAS
6956-34-9- PubChem CID
- 54599010
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 612
Physicochemical properties
- Boiling point
- 601.29 · 601.290±58.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.015 · 1.015±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.928 · 10.928±0.70(predicted)
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Compound notes
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