1-Naphthaleneacetic acid, 2-[(phenylamino)thioxomethyl]hydrazide
Basic information
- CAS
31803-06-2- Standard SMILES
O=C(Cc1cccc2ccccc12)NNC(=S)Nc1ccccc1- InChIKey
XRSNDUPLOIMYGH-UHFFFAOYSA-N- Molecular formula
- C19H17N3OS
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.10923335
Names & identifiers
- Preferred name
- 1-Naphthaleneacetic acid, 2-[(phenylamino)thioxomethyl]hydrazide
- IUPAC
- 1-[(2-naphthalen-1-ylacetyl)amino]-3-phenylthiourea
- English name
- 1-Naphthaleneacetic acid, 2-[(phenylamino)thioxomethyl]hydrazide
- Molecular formula
- C19H17N3OS
- Molecular weight
- 335.42
Names & synonyms
BRN 295045531803-06-22-((Phenylamino)thioxomethyl)hydrazide of 1-naphthaleneacetic acid1-NAPHTHALENEACETIC ACID, 2-((PHENYLAMINO)THIOXOMETHYL)HYDRAZIDE1-Naphthaleneacetic acid, 2-[(phenylamino)thioxomethyl]hydrazideRefChem:232200DTXSID30953732ZINC00124860AKOS003421453ST0137922-(1-naphthylacetyl)-N-phenylhydrazinecarbothioamide2-naphthyl-N-{[(phenylamino)thioxomethyl]amino}acetamide
Show more names
2-[1-Hydroxy-2-(naphthalen-1-yl)ethylidene]-N-phenylhydrazine-1-carboximidothioic acid
Database identifiers
- CAS
31803-06-2- PubChem CID
- 721808
- DTXSID
DTXSID30953732
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 436
Physicochemical properties
- Density
- 1.307 · 1.307±0.06 g/cm3(Predicted)
- pka
- 10.11 · 10.11±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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