Basic information
- CAS
91573-84-1- Standard SMILES
Clc1ccc(SCCCCCCCN2CCSC2)nc1- InChIKey
OMNMNWKYKSNGKH-UHFFFAOYSA-N- Molecular formula
- C15H23ClN2S2
- Average molar mass
- 330.9 g/mol
- Monoisotopic mass
- 330.0991188
Names & identifiers
- Preferred name
- Pyridine, 5-chloro-2-[[7-(3-thiazolidinyl)heptyl]thio]-
- IUPAC
- 3-[7-[(5-chloro-2-pyridinyl)sulfanyl]heptyl]-1,3-thiazolidine
Names & synonyms
91573-84-1Pyridine, 5-chloro-2-[[7-(3-thiazolidinyl)heptyl]thio]-DTXSID402769245-chloro-2-{[7-(1,3-thiazolidin-3-yl)heptyl]sulfanyl}pyridine
Database identifiers
- CAS
91573-84-1- PubChem CID
- 218548
- DTXSID
DTXSID40276924- Nikkaji
- J238.996G
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 66.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 256
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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