chempirical

Ethyl 6-bromo-5-hydroxy-1-methyl-2-[(phenylthio)methyl]-1H-indole-3-carboxylate

C19H18BrNO3SCAS 131707-24-9420.32 g/mol

Open in Covalent MOL file
OOSNBrOH
Aryl halideEsterPhenolSulfide

Properties

Molecular formula
C19H18BrNO3S
Molar mass
420.32 g/mol
Exact mass
419.0191 Da
logP
5.12Crippen estimate
Polar surface area
51.5 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
131707-24-9
SMILES
CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)cc12
InChIKey
DAFNNZWQTJQQAP-UHFFFAOYSA-N
InChI
InChI=1S/C19H18BrNO3S/c1-3-24-19(23)18-13-9-17(22)14(20)10-15(13)21(2)16(18)11-25-12-7-5-4-6-8-12/h4-10,22H,3,11H2,1-2H3

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Names and synonyms

5 names
  • 1H-Indole-3-carboxylic acid, 6-bromo-5-hydroxy-1-methyl-2-[(phenylthio)methyl]-, ethyl ester
  • SI 5
  • SI 5 (pharmaceutical)
  • 1-Methyl-2-phenylthiomethyl-3-ethoxycarbonyl-5-hydroxy-6-bromoindole
  • Ethyl 6-bromo-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate

Work with Ethyl 6-bromo-5-hydroxy-1-methyl-2-[(phenylthio)methyl]-1H-indole-3-carboxylate

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Similar compounds

Ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylthio)methyl]-1H-indole-3-carboxylate131707-25-063 % similar Arbidol131707-23-861 % similar Ethyl 5-(acetyloxy)-6-bromo-2-(bromomethyl)-1-methyl-1H-indole-3-carboxylate110543-98-149 % similar Mecarbinate15574-49-942 % similar Ethyl 2-bromobenzoate6091-64-139 % similar Ethyl salicylate118-61-638 % similar Ethyl 2-hydroxy-6-methylbenzoate6555-40-438 % similar 4-Bromoindole-2-carboxylic acid ethyl ester103858-52-236 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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