Basic information
- CAS
73681-01-3- Standard SMILES
CCCCCCCCCCCCC1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O- InChIKey
QTJHXTFHQHAQKQ-UHFFFAOYSA-N- Molecular formula
- C28H36N2O2S
- Average molar mass
- 464.7 g/mol
- Monoisotopic mass
- 464.24974957
Names & identifiers
- Preferred name
- Barbituric acid, 1,3-diphenyl-5-dodecyl-2-thio-
- IUPAC
- 5-dodecyl-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Names & synonyms
BARBITURIC ACID, 1,3-DIPHENYL-5-DODECYL-2-THIO-73681-01-3BRN 08607431,3-Diphenyl-5-dodecyl-2-thiobarbituric acid5-dodecyl-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dioneDTXSID7022394673481-01-3
Database identifiers
- CAS
73681-01-3- PubChem CID
- 52175
- DTXSID
DTXSID70223946- Nikkaji
- J105.498H
Properties
Computed structural properties
- XLogP
- 9.3
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 13
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 585
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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