6-(methylsulfanyl)-1H-indole-2-carboxylic acid
Basic information
- CAS
202584-21-2- Standard SMILES
CSc1ccc2cc(C(=O)O)[nH]c2c1- InChIKey
OJPNRJVMABFYLM-UHFFFAOYSA-N- Molecular formula
- C10H9NO2S
- Average molar mass
- 207.25 g/mol
- Monoisotopic mass
- 207.0353997
Names & identifiers
- Preferred name
- 6-(methylsulfanyl)-1H-indole-2-carboxylic acid
- IUPAC
- 6-methylsulfanyl-1H-indole-2-carboxylic acid
- English name
- 6-(Methylsulfanyl)-1H-indole-2-carboxylic acid
- Molecular formula
- C10H9NO2S
- Molecular weight
- 207.25
Names & synonyms
202584-21-26-(methylsulfanyl)-1H-indole-2-carboxylic acid6-(methylthio)-1H-indole-2-carboxylic acid6-methylsulfanyl-1H-indole-2-carboxylic AcidMFCD026644631H-Indole-2-carboxylic acid, 6-(methylthio)-SCHEMBL3608274OJPNRJVMABFYLM-UHFFFAOYSA-NDTXSID801267087CIA58421STK893650AKOS001393909
Show more names
BS-320616-(methylthio)-1H-indole-2-carboxylicacidDB-186100CS-0206940EN300-15105G22876Z119989630
Database identifiers
- CAS
202584-21-2- PubChem CID
- 3907173
- DTXSID
DTXSID801267087
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Boiling point
- 478.9 · 478.9±25.0 °C(Predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- pka
- 4.46 · 4.46±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
5 records
Compound notes
Loading…