Basic information
- CAS
66655-17-2- Standard SMILES
CCCCNC(=S)N=Nc1cc(C)c(O)c2ccccc12- InChIKey
YGKFPJSPVUIXCF-UHFFFAOYSA-N- Molecular formula
- C16H19N3OS
- Average molar mass
- 301.4 g/mol
- Monoisotopic mass
- 301.12488341
Names & identifiers
- Preferred name
- 1-Butyl-3-(4-hydroxy-3-methylnaphthalen-1-yl)iminothiourea
- IUPAC
- 1-butyl-3-(4-hydroxy-3-methylnaphthalen-1-yl)iminothiourea
Names & synonyms
NSC27339466655-17-2DTXSID40421492NSC-273394(2E)-N-Butyl-2-(3-methyl-4-oxonaphthalen-1(4H)-ylidene)hydrazine-1-carbothioamide
Database identifiers
- CAS
66655-17-2- PubChem CID
- 3925965
- DTXSID
DTXSID40421492
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 375
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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