Basic information
- CAS
35022-18-5- Standard SMILES
S=C1CCCN1CC#CCN1CCCC1- InChIKey
CRWAPXZJXYKQTC-UHFFFAOYSA-N- Molecular formula
- C12H18N2S
- Average molar mass
- 222.35 g/mol
- Monoisotopic mass
- 222.11906976
Overview
thiolactam analogue of oxotremorine; RN is from 9th CI; structure
Names & identifiers
- Preferred name
- 1-(2-Thioxopyrrolidino)-4-pyrrolidino-2-butyne
- IUPAC
- 1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidine-2-thione
Names & synonyms
1-(2-Thioxopyrrolidino)-4-pyrrolidino-2-butyne35022-18-5DTXSID50188544RefChem:74215DTXCID101110352-Pyrrolidinethione, 1-(4-(1-pyrrolidinyl)-2-butynyl)-1-[4-(Pyrrolidin-1-yl)but-2-yn-1-yl]pyrrolidine-2-thione
Database identifiers
- CAS
35022-18-5- PubChem CID
- 44155014
- DTXSID
DTXSID50188544
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 38.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 293
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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