Fluorescein thiosemicarbazide
Basic information
- CAS
75323-82-9- Standard SMILES
NC(=S)N/N=C1/OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21- InChIKey
HOUJZQLNVOLPOY-UHFFFAOYSA-N- Molecular formula
- C21H15N3O4S
- Average molar mass
- 405.4 g/mol
- Monoisotopic mass
- 405.07832714
Names & identifiers
- Preferred name
- Fluorescein thiosemicarbazide
- IUPAC
- [(E)-(3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-ylidene)amino]thiourea
- English name
- fluorescein thiosemicarbazide
- Molecular formula
- C21H15N3O4S
- Molecular weight
- 405.43
Names & synonyms
FLTHSFluorescein thiosemicarbazide75323-82-9Hydrazinecarbothioamide, 2-(3',6'-dihydroxyspiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-ylidene)-RefChem:140895[(E)-(3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-ylidene)amino]thioureaSCHEMBL31557726Hydrazinecarbothioamide, 2-(3',6'-dihydroxyspiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-ylidene)-
Database identifiers
- CAS
75323-82-9- PubChem CID
- 6509871
- Nikkaji
- J2.512.135J
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 663
Physicochemical properties
- Boiling point
- 644.5 · 644.5±65.0 °C(Predicted)
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- pka
- 9.24 · 9.24±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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