Basic information
- CAS
874772-69-7- Standard SMILES
Cc1c(S(N)(=O)=O)sc2ccc(F)cc12- InChIKey
VJROMBCJDSOQNS-UHFFFAOYSA-N- Molecular formula
- C9H8FNO2S2
- Average molar mass
- 245.3 g/mol
- Monoisotopic mass
- 244.99804901
Names & identifiers
- Preferred name
- 5-Fluoro-3-methyl-1-benzothiophene-2-sulfonamide
- IUPAC
- 5-fluoro-3-methyl-1-benzothiophene-2-sulfonamide
- English name
- BUTTPARK 30\07-04
- Molecular formula
- C9H8FNO2S2
- Molecular weight
- 245.29
Names & synonyms
874772-69-75-fluoro-3-methyl-1-benzothiophene-2-sulfonamide5-Fluoro-3-methyl-benzo[b]thiophene-2-sulfonic acid amideMFCD020915135-fluoro-3-methylbenzo[b]thiophene-2-sulfonamideC9H8FNO2S2SCHEMBL1743697AKOS026674493AS-5726DB-139799CS-04576555-fluoro-3-methyl-benzothiophene-2-sulfonamide
Show more names
BUTTPARK 30\07-04Benzo[b]thiophene-2-sulfonamide, 5-fluoro-3-methyl-
F317677
Database identifiers
- CAS
874772-69-7- PubChem CID
- 67145301
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 96.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 341
Physicochemical properties
- Boiling point
- 443.7 · 443.7±55.0 °C(Predicted)
- Density
- 1.509 · 1.509±0.06 g/cm3(Predicted)
- pka
- 9.95 · 9.95±0.30(Predicted)
- HS Code
- 2934999090 · 2934999090
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
- hs_code
- 2934999090
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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