Basic information
- CAS
17531-84-9- Standard SMILES
Br.OC(CCN1CCCC1)(c1ccsc1)c1ccsc1- InChIKey
SXKDGNWNMAXOTH-UHFFFAOYSA-N- Molecular formula
- C15H20BrNOS2
- Average molar mass
- 374.4 g/mol
- Monoisotopic mass
- 373.01697
Names & identifiers
- Preferred name
- 1-Propanol, 1,1-di(thien-3-yl)-3-pyrrolidinyl-, hydrobromide
- IUPAC
- 3-pyrrolidin-1-yl-1,1-di(thiophen-3-yl)propan-1-ol;hydrobromide
Names & synonyms
1-Propanol, 1,1-di(thien-3-yl)-3-pyrrolidinyl-, hydrobromide1,1-Dithien-3-yl-3-pyrrolidinyl-1-propanol hydrobromide17531-84-9DTXSID10169970RefChem:234616DTXCID40924613-(Pyrrolidin-1-yl)-1,1-di(thiophen-3-yl)propan-1-ol--hydrogen bromide (1/1)
Database identifiers
- CAS
17531-84-9- PubChem CID
- 205162
- DTXSID
DTXSID10169970
Properties
Computed structural properties
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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