1H-Pyrrole, 2-[(chlorodifluoromethyl)thio]-
Basic information
- CAS
62665-29-6- Standard SMILES
FC(F)(Cl)Sc1ccc[nH]1- InChIKey
CTEFKWNRNPJFST-UHFFFAOYSA-N- Molecular formula
- C5H4ClF2NS
- Average molar mass
- 183.61 g/mol
- Monoisotopic mass
- 182.9721043
Names & identifiers
- Preferred name
- 1H-Pyrrole, 2-[(chlorodifluoromethyl)thio]-
- IUPAC
- 2-[chloro(difluoro)methyl]sulfanyl-1H-pyrrole
Names & synonyms
1H-Pyrrole, 2-[(chlorodifluoromethyl)thio]-62665-29-6SCHEMBL10384294DTXSID30500785CTEFKWNRNPJFST-UHFFFAOYSA-N2-{[Chloro(difluoro)methyl]sulfanyl}-1H-pyrrole2-{[Chlorodi(fluoro)methyl]sulfanyl}-1H-pyrrole
Database identifiers
- CAS
62665-29-6- PubChem CID
- 12508314
- DTXSID
DTXSID30500785
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 122
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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