Basic information
- CAS
777-16-2- Standard SMILES
CC(=NNC(N)=S)c1ccc(F)cc1- InChIKey
JBOMIBNEKCISGH-UHFFFAOYSA-N- Molecular formula
- C9H10FN3S
- Average molar mass
- 211.26 g/mol
- Monoisotopic mass
- 211.05794667
Names & identifiers
- Preferred name
- 2-[(E)-1-(4-fluorophenyl)ethylidene]-1-hydrazinecarbothioamide
- IUPAC
- [1-(4-fluorophenyl)ethylideneamino]thiourea
Names & synonyms
[1-(4-fluorophenyl)ethylideneamino]thiourea1489265-29-32-[(E)-1-(4-fluorophenyl)ethylidene]-1-hydrazinecarbothioamide{[1-(4-fluorophenyl)ethylidene]amino}thiourea777-16-2SCHEMBL941895SCHEMBL8591225DTXSID00998913AKOS0172635682-[1-(4-Fluorophenyl)ethylidene]hydrazine-1-carboximidothioic acid
Database identifiers
- CAS
777-16-2- PubChem CID
- 724751
- DTXSID
DTXSID00998913
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 234
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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