1-(4-Hydroxy-3-methylnaphthalen-1-yl)imino-3-phenylthiourea
Basic information
- CAS
66655-19-4- Standard SMILES
Cc1cc(N=NC(=S)Nc2ccccc2)c2ccccc2c1O- InChIKey
BTUMQQZXIZRCRW-UHFFFAOYSA-N- Molecular formula
- C18H15N3OS
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.09358328
Names & identifiers
- Preferred name
- 1-(4-Hydroxy-3-methylnaphthalen-1-yl)imino-3-phenylthiourea
- IUPAC
- 1-(4-hydroxy-3-methylnaphthalen-1-yl)imino-3-phenylthiourea
Names & synonyms
NSC27339166655-19-4NSC-273391
Database identifiers
- CAS
66655-19-4- PubChem CID
- 4620760
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 436
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Compound notes
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