Basic information
- CAS
344940-93-8- Standard SMILES
O=C1NC(=S)NC(=O)C1=C/C=C/C=C/C1C(=O)NC(=S)NC1=O- InChIKey
LFYHUCUXVULCOB-ZPUQHVIOSA-N- Molecular formula
- C13H10N4O4S2
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.01434716
Overview
See other relationships...
Names & identifiers
- Preferred name
- 2,2'-Dimercapto-4,4',6,6'-tetrahydroxy-pyrimidino-5,5'pentamethine oxonole
- IUPAC
- 5-[(2E,4E)-5-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)penta-2,4-dienylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
- English name
- Dihydrotetrahydrohydroxyoxothioxopyrimidin-ylpentadienylidenthioxopyrimidinedion
- Molecular weight
- 0
Names & synonyms
63811-40-5LFYHUCUXVULCOB-ZPUQHVIOSA-NDTXSID301355908MFCD001425582,2'-DIMERCAPTO-4,4',6,6'-TETRAHYDROXY-PYRIMIDINO-5,5'PENTAMETHINE OXONOLE344940-93-85-[(2E,4E)-5-(4,6-Dioxo-2-sulfanylidenehexahydro-5-pyrimidinyl)-2,4-pentadien-1-ylidene]-2-sulfanylidenedihydro-4,6(1H,5H)-pyrimidinedioneDihydro-5-[5-(1,2,3,4-tetrahydro-6-hydroxy-4-oxo-2-thioxo-5-pyrimidinyl)-2,4-pentadienylidene]-2-thioxo-4,6(1H,5H)pyrimidinedione, Dye content 90 %Dihydrotetrahydrohydroxyoxothioxopyrimidin-ylpentadienylidenthioxopyrimidinedion5-[(2E,4E)-5-(6-Hydroxy-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)penta-2,4-dien-1-ylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Database identifiers
- CAS
344940-93-8- PubChem CID
- 6441920
- DTXSID
DTXSID301355908- Nikkaji
- J283.005A
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 681
Chemistry & industry
Suppliers1 total
湖南嘉航医药科技有限公司85521272 18229978283 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…