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115505-09-4 | Ethanone, 2-(ethylthio)-1-(4-methoxyphenyl)-
CAS No: 115505-09-4 Catalog No: AG000G37 MDL No:MFCD12063993
Product Description
Catalog Number:
AG000G37
Chemical Name:
Ethanone, 2-(ethylthio)-1-(4-methoxyphenyl)-
CAS Number:
115505-09-4
Molecular Formula:
C11H14O2S
Molecular Weight:
210.2927
MDL Number:
MFCD12063993
IUPAC Name:
2-ethylsulfanyl-1-(4-methoxyphenyl)ethanone
InChI:
InChI=1S/C11H14O2S/c1-3-14-8-11(12)9-4-6-10(13-2)7-5-9/h4-7H,3,8H2,1-2H3
InChI Key:
HTYVBAYXSKZNOC-UHFFFAOYSA-N
SMILES:
CCSCC(=O)c1ccc(cc1)OC
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.071g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.291g/mol
Monoisotopic Mass:
210.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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