4-[(Tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]phenyl 4-methoxybenzenesulfonate
Basic information
- CAS
347310-74-1- Standard SMILES
COc1ccc(S(=O)(=O)Oc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2)cc1- InChIKey
OIDVCEAIQYTEJZ-UHFFFAOYSA-N- Molecular formula
- C18H14N2O6S2
- Average molar mass
- 418.4 g/mol
- Monoisotopic mass
- 418.02932852
Names & identifiers
- Preferred name
- 4-[(Tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]phenyl 4-methoxybenzenesulfonate
- IUPAC
- [4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenyl] 4-methoxybenzenesulfonate
Names & synonyms
347310-74-14-[(Tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]phenyl 4-methoxybenzenesulfonate4-((Tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl)phenyl 4-methoxybenzenesulfonateRefChem:2864794-[(4,6-Dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenyl 4-methoxybenzene-1-sulfonateDTXSID801116785STL383449AKOS024290395[4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenyl] 4-methoxybenzenesulfonate4-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenyl 4-methoxybenzenesulfonateSR-01000236931SR-01000236931-1
Show more names
4-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenyl 4-methoxybenzenesulfonate
Database identifiers
- CAS
347310-74-1- PubChem CID
- 2902115
- DTXSID
DTXSID801116785
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 735
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Compound notes
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