Chemical Properties of 3-((Methylsulfonyl)methyl)-1H-indole (CAS 857775-86-1)

3-((Methylsulfonyl)methyl)-1H-indole

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InChI
InChI=1S/C10H11NO2S/c1-14(12,13)7-8-6-11-10-5-3-2-4-9(8)10/h2-6,11H,7H2,1H3
InChI Key
QLXXKTRCCMXQTL-UHFFFAOYSA-N
Formula
C10H11NO2S
SMILES
CS(=O)(=O)Cc1c[nH]c2ccccc12
Molecular Weight1
209.26
CAS
857775-86-1
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Physical Properties

Property Value Unit Source
log10WS -2.63 Crippen Calculated Property
logPoct/wat 1.231 Crippen Calculated Property
McVol 150.910 ml/mol McGowan Calculated Property
Inp [2242.50; 2242.50]   Show Hide
Inp 2242.50 NIST
Inp 2242.50 NIST

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Sources

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