1,3-Indandione, 2-hydroxy-2-methylthio-
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Basic information
- CAS
5813-25-2- Standard SMILES
CSC1(O)C(=O)c2ccccc2C1=O- InChIKey
NEACRYAKYIBGSK-UHFFFAOYSA-N- Molecular formula
- C10H8O3S
- Average molar mass
- 208.24 g/mol
- Monoisotopic mass
- 208.01941529
Names & identifiers
- Preferred name
- 1,3-Indandione, 2-hydroxy-2-methylthio-
- IUPAC
- 2-hydroxy-2-methylsulfanylindene-1,3-dione
- English name
- 2-Hydroxy-2-methylthio-1,3-indanedione
- Molecular formula
- C10H8O3S
- Molecular weight
- 208.23
Names & synonyms
1,3-Indandione, 2-hydroxy-2-methylthio-2-Hydroxy-2-methylthio-1,3-indandioneBRN 23308405813-25-22-Hydroxy-2-(methylmercapto)indanedione-1,3DTXSID20206845RefChem:219328DTXCID50129336SCHEMBL112174082-Hydroxy-2-(methylsulfanyl)-1H-indene-1,3(2H)-dione2-Hydroxy-2-methylthio-1,3-indanedione1H-Indene-1,3(2H)-dione, 2-hydroxy-2-(methylthio)-
Database identifiers
- CAS
5813-25-2- PubChem CID
- 201325
- DTXSID
DTXSID20206845- Nikkaji
- J40.992H
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 263
Related reactions
0 records
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Compound notes
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