Basic information
- CAS
68279-50-5- Standard SMILES
NC(=S)NN=C1c2ccccc2-c2ccccc21- InChIKey
IFLBOZZHJPAFBK-UHFFFAOYSA-N- Molecular formula
- C14H11N3S
- Average molar mass
- 253.32 g/mol
- Monoisotopic mass
- 253.06736854
Names & identifiers
- Preferred name
- 2-(9H-fluoren-9-ylidene)hydrazinecarbothioamide
- IUPAC
- (fluoren-9-ylideneamino)thiourea
- English name
- Hydrazinecarbothioamide,2-(9H-fluoren-9-ylidene)-
- Molecular formula
- C14H11N3S
- Molecular weight
- 253.32
Names & synonyms
2-(9H-fluoren-9-ylidene)hydrazinecarbothioamide(fluoren-9-ylideneamino)thiourea68279-50-59H-Fluoren-9-one thiosemicarbazoneCHEMBL1269811NSC88984NCIOpen2_005648MLS001195119SCHEMBL16210519[9-Fluorenone]-thiosemicarbazoneDTXSID20987809IFLBOZZHJPAFBK-UHFFFAOYSA-N
Show more names
Hydrazinecarbothioamide,2-(9H-fluoren-9-ylidene)-
HMS2879F23BDBM50330052NSC-88984STK3674109H-Fluoren-9-one thiosemicarbazone #AKOS001570519SMR000554525ST073756
Database identifiers
- CAS
68279-50-5- PubChem CID
- 690107
- DTXSID
DTXSID20987809- ChEMBL
CHEMBL1269811- Nikkaji
- J1.429.321C
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 342
Experimental & physicochemical properties
Solubility0.9 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 476.2 · 476.2±28.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 10.68 · 10.68±0.20(Predicted)
Chemistry & industry
Suppliers2 total
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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