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34257-56-2 | 1-(Ethylthio)-2-methoxy-benzene
CAS No: 34257-56-2 Catalog No: AG01EVLS MDL No:MFCD00040057
Product Description
Catalog Number:
AG01EVLS
Chemical Name:
1-(Ethylthio)-2-methoxy-benzene
CAS Number:
34257-56-2
Molecular Formula:
C9H12OS
Molecular Weight:
168.2560
MDL Number:
MFCD00040057
IUPAC Name:
1-ethylsulfanyl-2-methoxybenzene
InChI:
InChI=1S/C9H12OS/c1-3-11-9-7-5-4-6-8(9)10-2/h4-7H,3H2,1-2H3
InChI Key:
JKACBGBHMSTRGB-UHFFFAOYSA-N
SMILES:
CCSc1ccccc1OC
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.061g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.254g/mol
Monoisotopic Mass:
168.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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