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29549-60-8 | Phenol, 2-(ethylthio)-
CAS No: 29549-60-8 Catalog No: AG002YPM MDL No:MFCD00010815
Product Description
Catalog Number:
AG002YPM
Chemical Name:
Phenol, 2-(ethylthio)-
CAS Number:
29549-60-8
Molecular Formula:
C8H10OS
Molecular Weight:
154.2294
MDL Number:
MFCD00010815
IUPAC Name:
2-ethylsulfanylphenol
InChI:
InChI=1S/C8H10OS/c1-2-10-8-6-4-3-5-7(8)9/h3-6,9H,2H2,1H3
InChI Key:
CSJBSYKCAKKLKG-UHFFFAOYSA-N
SMILES:
CCSc1ccccc1O
EC Number:
249-690-7
Properties
Complexity:
95.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.045g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.227g/mol
Monoisotopic Mass:
154.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Synthesis, structural characterization, and multifrequency electron paramagnetic resonance studies of mononuclear thiomolybdenyl complexes. | Inorganic chemistry 20070402 |
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