2-[(E)-(dodecylcarbamothioylhydrazinylidene)methyl]benzoic acid
Basic information
- CAS
6942-52-5- Standard SMILES
CCCCCCCCCCCCNC(=S)N/N=C/c1ccccc1C(=O)O- InChIKey
GDRUPLBFCZJQAB-HAVVHWLPSA-N- Molecular formula
- C21H33N3O2S
- Average molar mass
- 391.6 g/mol
- Monoisotopic mass
- 391.22934848
Names & identifiers
- Preferred name
- 2-[(E)-(dodecylcarbamothioylhydrazinylidene)methyl]benzoic acid
- IUPAC
- 2-[(E)-(dodecylcarbamothioylhydrazinylidene)methyl]benzoic acid
Names & synonyms
NSC572216942-52-5DTXSID40430120NSC-572212-{(E)-[2-(Dodecylcarbamothioyl)hydrazinylidene]methyl}benzoic acid
Database identifiers
- CAS
6942-52-5- PubChem CID
- 9561529
- DTXSID
DTXSID40430120
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 443
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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