Basic information
- CAS
65562-44-9- Standard SMILES
O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1C1OC(CO)C(O)C(O)C1O- InChIKey
IQBRONLIFURVNX-YHYXMXQVSA-N- Molecular formula
- C16H16N2O8S2
- Average molar mass
- 428.4 g/mol
- Monoisotopic mass
- 428.03480782
Names & identifiers
- Preferred name
- (5Z)-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-thiazolidin-4-one
- IUPAC
- (5Z)-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-thiazolidin-4-one
Names & synonyms
NSC28417965562-44-9DTXSID90420415NSC-284179(5Z)-3-Hexopyranosyl-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Database identifiers
- CAS
65562-44-9- PubChem CID
- 5477019
- DTXSID
DTXSID90420415
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 214 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 676
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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