1-(2-methylpropyl)-3-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]thiourea
Basic information
- CAS
7402-32-6- Standard SMILES
CC(/C=C/c1ccccc1)=N\NC(=S)NCC(C)C- InChIKey
WXWUUYXYDZSEJF-QDNZWQKDSA-N- Molecular formula
- C15H21N3S
- Average molar mass
- 275.4 g/mol
- Monoisotopic mass
- 275.14561886
Names & identifiers
- Preferred name
- 1-(2-methylpropyl)-3-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]thiourea
- IUPAC
- 1-(2-methylpropyl)-3-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]thiourea
Names & synonyms
NSC553027402-32-6DTXSID10430112NSC-55302(2E)-N-(2-Methylpropyl)-2-[(3E)-4-phenylbut-3-en-2-ylidene]hydrazine-1-carbothioamide
Database identifiers
- CAS
7402-32-6- PubChem CID
- 9561501
- DTXSID
DTXSID10430112
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 328
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Compound notes
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