Basic information
- CAS
663179-60-0- Standard SMILES
FS(F)(F)(F)(F)c1ccc2nc[nH]c2c1- InChIKey
DXJLDTWZWXUUHM-UHFFFAOYSA-N- Molecular formula
- C7H5F5N2S
- Average molar mass
- 244.19 g/mol
- Monoisotopic mass
- 244.00936015
Names & identifiers
- Preferred name
- 5-(Pentafluorosulfanyl)-1H-benzoimidazole
- IUPAC
- 3H-benzimidazol-5-yl(pentafluoro)-λ6-sulfane
- English name
- 5-(Pentafluorothio)-1H-benzimidazole, 5-(Pentafluorosulphanyl)-1H-benzimidazole
- Molecular formula
- C7H5F5N2S
- Molecular weight
- 244.18
Names & synonyms
663179-60-05-(Pentafluorothio)-1H-benzimidazole5-(PENTAFLUOROSULFANYL)-1H-BENZOIMIDAZOLEMFCD22370117(1H-Benzimidazol-5-yl)sulfur pentafluorideDTXSID601218058AKOS0160157345-(Pentafluorosulfanyl)-1H-benzimidazolePS-112295-(Pentafluoro-?6-sulfanyl)-1H-benzimidazole3H-benzimidazol-5-yl(pentafluoro)-lambda6-sulfane6-(Pentafluoro-lambda~6~-sulfanyl)-1H-benzimidazole
Show more names
5-pentafluorosulfanyl-1H-benzoimidazole(1H-Benzimidazol-5-yl)sulphur pentafluorideSulfur, 1H-benzimidazol-5-ylpentafluoro-, (OC-6-21)- (9CI)
Sulfur, 1H-benzimidazol-5-ylpentafluoro-, (OC-6-21)-5-(Pentafluorosulfanyl)-1H-benzimidazole, >=97% (HPLC)5-(Pentafluorothio)-1H-benzimidazole, 5-(Pentafluorosulphanyl)-1H-benzimidazole
Database identifiers
- CAS
663179-60-0- PubChem CID
- 10243530
- DTXSID
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 29.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 275
Physicochemical properties
- pka
- 9.76 · 9.76±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 280 · P280-P260
- WGK Germany
- 3 · 3
- HS Code
- 2933998090 · 2933998090
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
- wgk
- 3
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P280-P260
Chemistry & industry
Suppliers1 total
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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