Basic information
- CAS
56297-58-6- Standard SMILES
CCSC(c1ccccc1Cl)c1c(C(=O)O)n(C)c2ccccc12- InChIKey
VYUYTWRZNURHBU-UHFFFAOYSA-N- Molecular formula
- C19H18ClNO2S
- Average molar mass
- 359.9 g/mol
- Monoisotopic mass
- 359.0746777
Names & identifiers
- Preferred name
- 1H-Indole-2-carboxylic acid, 3-((2-chlorophenyl)(ethylthio)methyl)-1-methyl-
- IUPAC
- 3-[(2-chlorophenyl)-ethylsulfanylmethyl]-1-methylindole-2-carboxylic acid
Names & synonyms
BRN 04963803-((2-Chlorophenyl)(ethylthio)methyl)-1-methyl-1H-indole-2-carboxylic acid56297-58-61H-INDOLE-2-CARBOXYLIC ACID, 3-((2-CHLOROPHENYL)(ETHYLTHIO)METHYL)-1-METHYL-RefChem:238957DTXSID309717343-[(2-Chlorophenyl)(ethylsulfanyl)methyl]-1-methyl-1H-indole-2-carboxylic acid
Database identifiers
- CAS
56297-58-6- PubChem CID
- 41839
- DTXSID
DTXSID30971734
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 449
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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