3-Quinuclidinemethanol, alpha,alpha-di-2-thienyl-
Basic information
- CAS
57734-75-5- Standard SMILES
OC(c1cccs1)(c1cccs1)C1CN2CCC1CC2- InChIKey
CTYCSOSPTSAGHP-UHFFFAOYSA-N- Molecular formula
- C16H19NOS2
- Average molar mass
- 305.5 g/mol
- Monoisotopic mass
- 305.09080658
Names & identifiers
- Preferred name
- 3-Quinuclidinemethanol, alpha,alpha-di-2-thienyl-
- IUPAC
- 1-azabicyclo[2.2.2]octan-3-yl(dithiophen-2-yl)methanol
- English name
- 1-Azabicyclo[2.2.2]oct-3-yl(di-2-thienyl)methanol
- Molecular formula
- C16H19NOS2
- Molecular weight
- 305.46
Names & synonyms
57734-75-5BRN 05471493-Quinuclidinyl-di-(2'-thienyl)carbinolalpha,alpha-Di-2-thienyl-3-quinuclidinemethanol3-Quinuclidinemethanol, alpha,alpha-di-2-thienyl-RefChem:282589Quinuclidin-3-yldi(thiophen-2-yl)methanol1-azabicyclo[2.2.2]oct-3-yl(di-2-thienyl)methanol1-azabicyclo[2.2.2]octan-3-yl(dithiophen-2-yl)methanol3-Quinuclidinyl-di-(2//'-thienyl)carbinolquinuclidin-3-yldi(2-thienyl)methan-1-olC16H19NOS2
Show more names
Quiditene base(3-Quinuclidyl) di(2-thienyl) carbinol1-Azabicyclo[2.2.2]octane-3-methanol, α,α-di-2-thienyl-
TimTec1_003873Oprea1_105349Oprea1_670273SCHEMBL9390607DTXSID60973322HMS1545A01SBB080744STK538232
Database identifiers
- CAS
57734-75-5- PubChem CID
- 3044809
- DTXSID
DTXSID60973322- Nikkaji
- J84.991J
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- HazardClass
- IRRITANT
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
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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