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Home > Indoles and Oxindole > 86925-06-6
86925-06-6 | 3-(Methylsulfinyl)-1H-indole
CAS No: 86925-06-6 Catalog No: AG004LA0 MDL No:MFCD13178405
Product Description
Catalog Number:
AG004LA0
Chemical Name:
3-(Methylsulfinyl)-1H-indole
CAS Number:
86925-06-6
Molecular Formula:
C9H9NOS
Molecular Weight:
179.2389
MDL Number:
MFCD13178405
IUPAC Name:
3-methylsulfinyl-1H-indole
InChI:
InChI=1S/C9H9NOS/c1-12(11)9-6-10-8-5-3-2-4-7(8)9/h2-6,10H,1H3
InChI Key:
QUHKXHIIVIIDHZ-UHFFFAOYSA-N
SMILES:
CS(=O)c1c[nH]c2c1cccc2
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.237g/mol
Monoisotopic Mass:
179.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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