Basic information
- CAS
74607-19-5- Standard SMILES
C=C(C)C1(CCCC)C(=O)NC(=S)NC1=O- InChIKey
YKRUKZQNRQLNCK-UHFFFAOYSA-N- Molecular formula
- C11H16N2O2S
- Average molar mass
- 240.32 g/mol
- Monoisotopic mass
- 240.09324893
Names & identifiers
- Preferred name
- 5-Butyl-5-prop-1-en-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
- IUPAC
- 5-butyl-5-prop-1-en-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
Names & synonyms
MLS00270708574607-19-5CHEMBL1865223DTXSID20408483NSC120856NSC-120856SMR0015744805-Butyl-5-(prop-1-en-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Database identifiers
- CAS
74607-19-5- PubChem CID
- 5114811
- DTXSID
DTXSID20408483- ChEMBL
CHEMBL1865223
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
- 16
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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