Merocil
Basic information
- CAS
143413-72-3- Standard SMILES
CCCCN1C(=O)C(O)(OC)C(=O)N(CCCC)C1=S- InChIKey
WUYOSDQTOAOHAL-UHFFFAOYSA-N- Molecular formula
- C13H22N2O4S
- Average molar mass
- 302.39 g/mol
- Monoisotopic mass
- 302.13002836
Overview
structure given in first source
Names & identifiers
- Preferred name
- Merocil
- IUPAC
- 1,3-dibutyl-5-hydroxy-5-methoxy-2-sulfanylidene-1,3-diazinane-4,6-dione
- English name
- 1,3-dibutyl-5-hydroxy-5-methoxy-2-sulfanylidene-1,3-diazinane-4,6-dion e
- Molecular formula
- C13H22N2O4S
- Molecular weight
- 302.38978
Names & synonyms
Merocil143413-72-3DTXSID80162413N,N'-Dibutyl-4,5-dihydro-5-hydroxy-5-methoxy-4-oxo-2-thiouracilRefChem:156621DTXCID30849041,3-dibutyl-5-hydroxy-5-methoxy-2-sulfanylidene-1,3-diazinane-4,6-dione1,3-Dibutyldihydro-5-hydroxy-5-methoxy-2-thioxo-4,6(1H,5H)-pyrimidinedione4,6(1H,5H)-Pyrimidinedione, 1,3-dibutyldihydro-5-hydroxy-5-methoxy-2-thioxo-1,3-dibutyl-5-hydroxy-5-methoxy-2-sulfanylidene-1,3-diazinane-4,6-dion e
Database identifiers
- CAS
143413-72-3- PubChem CID
- 134013
- DTXSID
DTXSID80162413
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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