Acetic acid, [(5-methoxy-2-phenyl-1H-indol-3-yl)thio]-
Basic information
- CAS
54466-91-0- Standard SMILES
COc1ccc2[nH]c(-c3ccccc3)c(SCC(=O)O)c2c1- InChIKey
JEHWTWGUKIEJIO-UHFFFAOYSA-N- Molecular formula
- C17H15NO3S
- Average molar mass
- 313.4 g/mol
- Monoisotopic mass
- 313.07726451
Names & identifiers
- Preferred name
- Acetic acid, [(5-methoxy-2-phenyl-1H-indol-3-yl)thio]-
- IUPAC
- 2-[(5-methoxy-2-phenyl-1H-indol-3-yl)sulfanyl]acetic acid
Names & synonyms
54466-91-02-((5-Methoxy-2-phenyl-1H-indol-3-yl)thio)acetic acid[(5-METHOXY-2-PHENYL-1H-INDOL-3-YL)SULFANYL]ACETIC ACIDAcetic acid, [(5-methoxy-2-phenyl-1H-indol-3-yl)thio]-DTXSID60358514AI-204/42879127
Database identifiers
- CAS
54466-91-0- PubChem CID
- 901199
- DTXSID
DTXSID60358514
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 87.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 386
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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