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114106-39-7 | Phenol, 2-[1-(ethylthio)ethyl]-
CAS No: 114106-39-7 Catalog No: AG000AKR MDL No:
Product Description
Catalog Number:
AG000AKR
Chemical Name:
Phenol, 2-[1-(ethylthio)ethyl]-
CAS Number:
114106-39-7
Molecular Formula:
C10H14OS
Molecular Weight:
182.2826
IUPAC Name:
2-(1-ethylsulfanylethyl)phenol
InChI:
InChI=1S/C10H14OS/c1-3-12-8(2)9-6-4-5-7-10(9)11/h4-8,11H,3H2,1-2H3
InChI Key:
MAKDWRWZAMSWHQ-UHFFFAOYSA-N
SMILES:
CCSC(c1ccccc1O)C
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.077g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.281g/mol
Monoisotopic Mass:
182.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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