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Home > Indoles and Oxindole > 1178074-54-8
1178074-54-8 | 1-(1H-INDOL-3-YL)-2-(METHYLSULFANYL)ETHAN-1-ONE
CAS No: 1178074-54-8 Catalog No: AG01BIRL MDL No:MFCD12823811
Product Description
Catalog Number:
AG01BIRL
Chemical Name:
1-(1H-INDOL-3-YL)-2-(METHYLSULFANYL)ETHAN-1-ONE
CAS Number:
1178074-54-8
Molecular Formula:
C11H11NOS
Molecular Weight:
205.2761
MDL Number:
MFCD12823811
IUPAC Name:
1-(1H-indol-3-yl)-2-methylsulfanylethanone
InChI:
InChI=1S/C11H11NOS/c1-14-7-11(13)9-6-12-10-5-3-2-4-8(9)10/h2-6,12H,7H2,1H3
InChI Key:
QWXBVSKPNYCMQM-UHFFFAOYSA-N
SMILES:
CSCC(=O)c1c[nH]c2c1cccc2
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.056g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.275g/mol
Monoisotopic Mass:
205.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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