Basic information
- CAS
4553-10-0- Standard SMILES
CCCCN(CCCC)C(=S)N=Nc1c(O)n(C)c2ccccc12- InChIKey
TVSIDOISFLKYAC-UHFFFAOYSA-N- Molecular formula
- C18H26N4OS
- Average molar mass
- 346.5 g/mol
- Monoisotopic mass
- 346.18273264
Names & identifiers
- Preferred name
- Busatin
- IUPAC
- 1,1-dibutyl-3-(2-hydroxy-1-methylindol-3-yl)iminothiourea
Names & synonyms
Busatin4553-10-0N-Methylisatin beta-4':4'-dibutylthiosemicarbazoneINDOLE-2,3-DIONE, 1-METHYL-, 3-(4,4-DIBUTYL-3-THIOSEMICARBAZONE)AKOS001569083
Database identifiers
- CAS
4553-10-0- PubChem CID
- 20685
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…