Basic information
- CAS
99167-62-1- Standard SMILES
CCCC1(CCC)C(=O)NC(=S)NC1=O- InChIKey
AEMNVHRTQIEXRG-UHFFFAOYSA-N- Molecular formula
- C10H16N2O2S
- Average molar mass
- 228.31 g/mol
- Monoisotopic mass
- 228.09324893
Names & identifiers
- Preferred name
- 5,5-Dipropyl-2-sulfanylidene-1,3-diazinane-4,6-dione
- IUPAC
- 5,5-dipropyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Names & synonyms
5,5-dipropyl-2-sulfanylidene-1,3-diazinane-4,6-dione99167-62-12,3-Dihydro-5,5-dipropyl-2-thioxo-4,6(1H,5H)-pyrimidinedioneDTXSID708761185,5-Dipropyl-2-thiobarbituric acidAG-690/36540028
Database identifiers
- CAS
99167-62-1- PubChem CID
- 899666
- DTXSID
DTXSID70876118- Nikkaji
- J1.547.754G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 90.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 274
Experimental & physicochemical properties
LogP2.66
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…