Product Information
Chemical Formula: | C27H34ClNO2S |
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Molecular Weight: | 472.08 |
Synonyms: | L-663,536; 1-[(4-Chlorophenyl)Methyl]-3-[(1,1-Dimethylethyl)Thio]-Alpha,Alpha-Dimethyl-5-(1-Methylethyl)-1H-Indole-2-Propanoic Acid; Mk-886; 3-[Tert-Butylthio-1-(4-Chlorobenzyl)-5-Isopropyl-1H-Indol-2-Yl]-2,2-Dimethylpropionic Acid, Sodium Salt; 3-[1-(4-Chlorobenzyl)-3-(Tert-Butylthio)-5-Isopropyl-1H-Indol-2-Yl]-2,2-Dimethylpropanoic Acid; 3-[1-(4-Chlorobenzyl)-3-(Tert-Butylthio)-5-Isopropyl-1H-Indol-2-Yl]-2,2-Dimethylpropionic Acid; 3-[3-Tert-Butylthio-1-(4-Chlorobenzyl)-5-Isopropyl-1H-Indol-2-Yl]-2,2-Dimethylpropionic Acid; Cgs-81585 |
MDL No.: | MFCD00876710 |
EINECS / EC No.: | N/A |
Pubchem CID: | 3651377 |
IUPAC Name: | 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoic acid |
Standard InchI: | InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31) |
InchI Key: | QAOAOVKBIIKRNL-UHFFFAOYSA-N |
SMILES: | CC(C)C1=CC2=C(C=C1)N(C(=C2SC(C)(C)C)CC(C)(C)C(=O)O)CC3=CC=C(C=C3)Cl |
Appearance: | white |
Melting Point: | N/A |
Boiling Point: | 623.4 °C at 760 mmHg |
Density (Theoretical): | 1.14 g/cm3 |
Solubility: | DMSO: 32 mg/mL |
Refractive Index: | 1.58 |
Safety Information
Signal Word: | Warning |
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Hazard Statements: | H302-H315-H319-H335 |
Precautionary Statements: | P261-P305+P351+P338 |
Flash Point: | 330.8 °C |
Transportation Information: | N/A |
GHS Pictograms: |