Basic information
- CAS
77893-69-7- Standard SMILES
NS(=O)(=O)c1cc(Br)c(Br)s1- InChIKey
XBUBKAHZGMXJBC-UHFFFAOYSA-N- Molecular formula
- C4H3Br2NO2S2
- Average molar mass
- 321 g/mol
- Monoisotopic mass
- 318.7972
Names & identifiers
- Preferred name
- 4,5-Dibromothiophene-2-sulfonamide
- IUPAC
- 4,5-dibromothiophene-2-sulfonamide
- English name
- 4,5-dibromothiophene-2-sulfonamide
- Molecular formula
- C4H3Br2NO2S2
- Molecular weight
- 321.01
Names & synonyms
4,5-dibromothiophene-2-sulfonamide77893-69-7MFCD002085792-Thiophenesulfonamide, 4,5-dibromo-SCHEMBL5524092DTXSID50384448AKOS026730740AS-8929CS-0455756EN300-270631
Database identifiers
- CAS
77893-69-7- PubChem CID
- 2805145
- DTXSID
DTXSID50384448
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 96.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Melting point
- 181 · 181-184 °C(Solv: methanol (67-56-1); N,N-dimethylformamide (68-12-2))
- Boiling point
- 438.6 · 438.6±55.0 °C(Predicted)
- Density
- 2.289 · 2.289±0.06 g/cm3(Predicted)
- form
- solid
- pka
- 9.48 · 9.48±0.60(Predicted)
- color
- Cream
- 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
Suppliers1 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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