Home Sulfos 3-(methylsulfonyl)-1H-indole

3-(methylsulfonyl)-1H-indole

CAS No.:
582321-06-0
Catalog Number:
AG00EJL4
Molecular Formula:
C9H9NO2S
Molecular Weight:
195.2383
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Product Description
Catalog Number:
AG00EJL4
Chemical Name:
3-(methylsulfonyl)-1H-indole
CAS Number:
582321-06-0
Molecular Formula:
C9H9NO2S
Molecular Weight:
195.2383
MDL Number:
MFCD20688113
IUPAC Name:
3-methylsulfonyl-1H-indole
InChI:
InChI=1S/C9H9NO2S/c1-13(11,12)9-6-10-8-5-3-2-4-7(8)9/h2-6,10H,1H3
InChI Key:
LURCQPDCRKARFF-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)c1c[nH]c2c1cccc2
Properties
Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.035g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.236g/mol
Monoisotopic Mass:
195.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties