2-Methyl-3-(methylsulfanyl)-5-nitro-1H-indole
Basic information
- CAS
53512-36-0- Standard SMILES
CSc1c(C)[nH]c2ccc([N+](=O)[O-])cc12- InChIKey
FWQGRPFYVHZHAK-UHFFFAOYSA-N- Molecular formula
- C10H10N2O2S
- Average molar mass
- 222.27 g/mol
- Monoisotopic mass
- 222.04629874
Names & identifiers
- Preferred name
- 2-Methyl-3-(methylsulfanyl)-5-nitro-1H-indole
- IUPAC
- 2-methyl-3-methylsulfanyl-5-nitro-1H-indole
Names & synonyms
53512-36-02-Methyl-3-(methylsulfanyl)-5-nitro-1H-indoleNSC298285SCHEMBL11608571DTXSID00315944NSC-298285
Database identifiers
- CAS
53512-36-0- PubChem CID
- 326609
- DTXSID
DTXSID00315944- Nikkaji
- J612.276K
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 256
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Compound notes
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