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Home > Indoles and Oxindole > 152879-72-6
152879-72-6 | 5-Methanesulfinyl-1H-indole
CAS No: 152879-72-6 Catalog No: AG01FFES MDL No:
Product Description
Catalog Number:
AG01FFES
Chemical Name:
5-Methanesulfinyl-1H-indole
CAS Number:
152879-72-6
Molecular Formula:
C9H9NOS
Molecular Weight:
179.2389
IUPAC Name:
5-methylsulfinyl-1H-indole
InChI:
InChI=1S/C9H9NOS/c1-12(11)8-2-3-9-7(6-8)4-5-10-9/h2-6,10H,1H3
InChI Key:
JGEXSEKEWXHZGB-UHFFFAOYSA-N
SMILES:
CS(=O)c1ccc2c(c1)cc[nH]2
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:
1.4
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