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Home > Indoles and Oxindole > 1506439-88-8
1506439-88-8 | 3-(1H-INDOL-2-YLSULFANYL)BUTAN-2-ONE
CAS No: 1506439-88-8 Catalog No: AG01BIRX MDL No:MFCD23826649
Product Description
Catalog Number:
AG01BIRX
Chemical Name:
3-(1H-INDOL-2-YLSULFANYL)BUTAN-2-ONE
CAS Number:
1506439-88-8
Molecular Formula:
C12H13NOS
Molecular Weight:
219.3027
MDL Number:
MFCD23826649
IUPAC Name:
3-(1H-indol-2-ylsulfanyl)butan-2-one
InChI:
InChI=1S/C12H13NOS/c1-8(14)9(2)15-12-7-10-5-3-4-6-11(10)13-12/h3-7,9,13H,1-2H3
InChI Key:
PCNDYFRRYZCEKA-UHFFFAOYSA-N
SMILES:
CC(=O)C(Sc1cc2c([nH]1)cccc2)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.302g/mol
Monoisotopic Mass:
219.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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