4-(Naphthalen-2-ylthio)butanoic acid
Basic information
- CAS
5324-80-1- Standard SMILES
O=C(O)CCCSc1ccc2ccccc2c1- InChIKey
USLILDKIEMDZFX-UHFFFAOYSA-N- Molecular formula
- C14H14O2S
- Average molar mass
- 246.33 g/mol
- Monoisotopic mass
- 246.07145086
Names & identifiers
- Preferred name
- 4-(Naphthalen-2-ylthio)butanoic acid
- IUPAC
- 4-naphthalen-2-ylsulfanylbutanoic acid
Names & synonyms
4-(naphthalen-2-ylthio)butanoic acid5324-80-14-(naphthalen-2-ylsulfanyl)butanoic acidNSC2733SCHEMBL3132211DTXSID50277528USLILDKIEMDZFX-UHFFFAOYSA-NNSC-27334-(2-naphthalenylthio)butanoic acid4-[(Naphthalen-2-yl)sulfanyl]butanoic acid
Database identifiers
- CAS
5324-80-1- PubChem CID
- 220259
- DTXSID
DTXSID50277528
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 255
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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