Basic information
- CAS
438234-34-5- Standard SMILES
O=S(=O)(c1ccc(Br)s1)C1CCCC1- InChIKey
DUAFHLOYDGCJGF-UHFFFAOYSA-N- Molecular formula
- C9H11BrO2S2
- Average molar mass
- 295.2 g/mol
- Monoisotopic mass
- 293.93838369
Names & identifiers
- Preferred name
- 2-Bromo-5-(cyclopentylsulfonyl)thiophene
- IUPAC
- 2-bromo-5-cyclopentylsulfonylthiophene
- English name
- 2-bromo-5-(cyclopentylsulfonyl)thiophene
- Molecular formula
- C9H11BrO2S2
- Molecular weight
- 295.22
Names & synonyms
2-BROMO-5-(CYCLOPENTYLSULFONYL)THIOPHENE438234-34-52-bromo-5-cyclopentylsulfonylthiophene2-bromo-5-(cyclopentanesulfonyl)thiopheneSCHEMBL621491DTXSID50405223DUAFHLOYDGCJGF-UHFFFAOYSA-N5-bromo-2-thienyl cyclopentyl sulfoneAKOS003858452DB-070473Thiophene, 2-bromo-5-(cyclopentylsulfonyl)-
Database identifiers
- CAS
438234-34-5- PubChem CID
- 4646916
- DTXSID
DTXSID50405223
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers2 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海相辉医药科技有限公司[email protected]
Related reactions
3 records
Compound notes
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