4',5'-Dimethylfluorescein isothiocyanate
Basic information
- CAS
92457-52-8- Standard SMILES
Cc1c(O)ccc2c1Oc1c(ccc(O)c1C)C21OC(=O)c2cc(N=C=S)ccc21- InChIKey
DXFGXFRWYRUSEO-UHFFFAOYSA-N- Molecular formula
- C23H15NO5S
- Average molar mass
- 417.4 g/mol
- Monoisotopic mass
- 417.06709375
Names & identifiers
- Preferred name
- 4',5'-Dimethylfluorescein isothiocyanate
- IUPAC
- 3',6'-dihydroxy-6-isothiocyanato-4',5'-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one
- English name
- 4',5'-dimethylfluorescein isothiocyanate
- Molecular weight
- 0
Names & synonyms
DmfticSpiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 3',6'-dihydroxy-5-isothiocyanato-4',5'-dimethyl-92457-52-84',5'-Dimethylfluorescein isothiocyanateDTXSID00239010RefChem:95884DTXCID201615013',6'-dihydroxy-6-isothiocyanato-4',5'-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one3',6'-Dihydroxy-5-isothiocyanato-4',5'-dimethyl-3H-spiro[[2]benzofuran-1,9'-xanthen]-3-one
Database identifiers
- CAS
92457-52-8- PubChem CID
- 124805
- DTXSID
DTXSID00239010
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 724
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…