1-dodecyl-3-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]thiourea
Basic information
- CAS
6961-64-4- Standard SMILES
CCCCCCCCCCCCNC(=S)N/N=C/C(C)=C\c1ccccc1- InChIKey
BWONBQIZMOWFQC-GRXPJKNZSA-N- Molecular formula
- C23H37N3S
- Average molar mass
- 387.6 g/mol
- Monoisotopic mass
- 387.27081937
Names & identifiers
- Preferred name
- 1-dodecyl-3-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]thiourea
- IUPAC
- 1-dodecyl-3-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]thiourea
Names & synonyms
NSC627396961-64-4DTXSID90430135NSC-62739(2E)-N-Dodecyl-2-[(2Z)-2-methyl-3-phenylprop-2-en-1-ylidene]hydrazine-1-carbothioamide
Database identifiers
- CAS
6961-64-4- PubChem CID
- 9561574
- DTXSID
DTXSID90430135
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 425
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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