Basic information
- CAS
56987-49-6- Standard SMILES
Cc1ccc(NC(=S)NNC(=O)Cc2cccc3ccccc23)c(C)c1- InChIKey
QFIVNADDYPJUCI-UHFFFAOYSA-N- Molecular formula
- C21H21N3OS
- Average molar mass
- 363.5 g/mol
- Monoisotopic mass
- 363.14053348
Names & identifiers
- Preferred name
- 1-Naphthaleneacetic acid, 2-(((2,4-dimethylphenyl)amino)thioxomethyl)hydrazide
- IUPAC
- 1-(2,4-dimethylphenyl)-3-[(2-naphthalen-1-ylacetyl)amino]thiourea
Names & synonyms
1-NAPHTHALENEACETIC ACID, 2-(((2,4-DIMETHYLPHENYL)AMINO)THIOXOMETHYL)HYDRAZIDE56987-49-62-(((2,4-Dimethylphenyl)amino)thioxomethyl)hydrazide of 1-naphthaleneacetic acidRefChem:232196DTXSID00972475N-(2,4-Dimethylphenyl)-2-[1-hydroxy-2-(naphthalen-1-yl)ethylidene]hydrazine-1-carboximidothioic acid
Database identifiers
- CAS
56987-49-6- PubChem CID
- 3033136
- DTXSID
DTXSID00972475
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 498
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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