Basic information
- CAS
65562-43-8- Standard SMILES
O=C1/C(=C/c2ccccc2)SC(=S)N1C1OC(CO)C(O)C(O)C1O- InChIKey
ZCYBHXIIHMGYMO-POHAHGRESA-N- Molecular formula
- C16H17NO6S2
- Average molar mass
- 383.4 g/mol
- Monoisotopic mass
- 383.04972961
Names & identifiers
- Preferred name
- (5Z)-5-benzylidene-2-sulfanylidene-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-thiazolidin-4-one
- IUPAC
- (5Z)-5-benzylidene-2-sulfanylidene-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-thiazolidin-4-one
Names & synonyms
NSC28417865562-43-8DTXSID30420414NSC-284178(5Z)-5-Benzylidene-3-hexopyranosyl-2-sulfanylidene-1,3-thiazolidin-4-one
Database identifiers
- CAS
65562-43-8- PubChem CID
- 5477018
- DTXSID
DTXSID30420414
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 565
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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