5-[(4-Fluorophenyl)amino]-1,3,4-thiadiazole-2-thiol
Completing data — refresh the page later to see the latest
Basic information
- CAS
14731-24-9- Standard SMILES
Fc1ccc(Nc2n[nH]c(=S)s2)cc1- InChIKey
WIIOPIYGNZKALU-UHFFFAOYSA-N- Molecular formula
- C8H6FN3S2
- Average molar mass
- 227.3 g/mol
- Monoisotopic mass
- 226.99871771
Names & identifiers
- Preferred name
- 5-[(4-Fluorophenyl)amino]-1,3,4-thiadiazole-2-thiol
- IUPAC
- 5-(4-fluoroanilino)-3H-1,3,4-thiadiazole-2-thione
- English name
- 5-[(4-FLUOROPHENYL)AMINO]-1,3,4-THIADIAZOLE-2-THIOL
- Molecular formula
- C8H6FN3S2
- Molecular weight
- 227.28
Names & synonyms
14731-24-95-[(4-fluorophenyl)amino]-1,3,4-thiadiazole-2-thiol5-((4-Fluorophenyl)amino)-1,3,4-thiadiazole-2-thiol5-(4-fluoroanilino)-3H-1,3,4-thiadiazole-2-thione1,3,4-Thiadiazole-2(3H)-thione, 5-[(4-fluorophenyl)amino]-CHEMBL4568488SCHEMBL27876956DTXSID90384785AKOS000123542AKOS002544486DB-349776CS-0234933
Show more names
EN300-150115-(4-Fluoroanilino)-1,3,4-thiadiazole-2(3H)-thioneZ111871264
Database identifiers
- CAS
14731-24-9- PubChem CID
- 2818752
- DTXSID
DTXSID90384785- ChEMBL
CHEMBL4568488
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…