1-[(5-chlorothiophen-2-yl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic Acid
Basic information
- CAS
5126-32-9- Standard SMILES
CSc1ccc(C(c2ccc(Cl)s2)N2CCCC2C(=O)O)cc1- InChIKey
OWDIGTUGPZKVSA-UHFFFAOYSA-N- Molecular formula
- C17H18ClNO2S2
- Average molar mass
- 367.9 g/mol
- Monoisotopic mass
- 367.0467489
Names & identifiers
- Preferred name
- 1-[(5-chlorothiophen-2-yl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic Acid
- IUPAC
- 1-[(5-chlorothiophen-2-yl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid
Names & synonyms
5126-32-91-[(5-chlorothiophen-2-yl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic AcidDTXSID304097041-{(5-Chlorothiophen-2-yl)[4-(methylsulfanyl)phenyl]methyl}proline
Database identifiers
- CAS
5126-32-9- PubChem CID
- 5203757
- DTXSID
DTXSID30409704
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 94.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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