Basic information
- CAS
73681-02-4- Standard SMILES
CCCCCC1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O- InChIKey
UQJGKOXATHYVEF-UHFFFAOYSA-N- Molecular formula
- C21H22N2O2S
- Average molar mass
- 366.5 g/mol
- Monoisotopic mass
- 366.14019912
Names & identifiers
- Preferred name
- Barbituric acid, 1,3-diphenyl-5-pentyl-2-thio-
- IUPAC
- 5-pentyl-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Names & synonyms
BRN 0899131BARBITURIC ACID, 1,3-DIPHENYL-5-PENTYL-2-THIO-1,3-Diphenyl-5-pentyl-2-thiobarbituric acid73681-02-4DTXSID302239475-24-09-00156 (Beilstein Handbook Reference)RefChem:320616DTXCID601464385-pentyl-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Database identifiers
- CAS
73681-02-4- PubChem CID
- 52176
- DTXSID
DTXSID30223947- Nikkaji
- J105.501A
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 484
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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