S-(4-pyrrolidin-1-ylbutyl) 2-cyclohex-2-en-1-yl-2-phenylethanethioate;hydrochloride
Basic information
- CAS
5422-24-2- Standard SMILES
Cl.O=C(SCCCCN1CCCC1)C(c1ccccc1)C1C=CCCC1- InChIKey
JCRVFIBHZSVGLM-UHFFFAOYSA-N- Molecular formula
- C22H32ClNOS
- Average molar mass
- 394 g/mol
- Monoisotopic mass
- 393.1893135
Names & identifiers
- Preferred name
- S-(4-pyrrolidin-1-ylbutyl) 2-cyclohex-2-en-1-yl-2-phenylethanethioate;hydrochloride
- IUPAC
- S-(4-pyrrolidin-1-ylbutyl) 2-cyclohex-2-en-1-yl-2-phenylethanethioate;hydrochloride
Names & synonyms
5422-24-2DTXSID40712650NSC10964NSC-10964S-[4-(Pyrrolidin-1-yl)butyl] (cyclohex-2-en-1-yl)(phenyl)ethanethioate--hydrogen chloride (1/1)
Database identifiers
- CAS
5422-24-2- PubChem CID
- 54599161
- DTXSID
DTXSID40712650
Properties
Computed structural properties
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 424
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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