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30623-40-6 | Ethanethioic acid, phenyl ester
CAS No: 30623-40-6 Catalog No: AG0030OR MDL No:
Product Description
Catalog Number:
AG0030OR
Chemical Name:
Ethanethioic acid, phenyl ester
CAS Number:
30623-40-6
Molecular Formula:
C8H8OS
Molecular Weight:
152.2135
IUPAC Name:
O-phenyl ethanethioate
InChI:
InChI=1S/C8H8OS/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3
InChI Key:
CARWLUDBSNWZKZ-UHFFFAOYSA-N
SMILES:
CC(=S)Oc1ccccc1
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.03g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.211g/mol
Monoisotopic Mass:
152.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Bivalve esterases as biomarker: identification and characterization in European cockles (Cerastoderma edule). | Bulletin of environmental contamination and toxicology 20120501 |
| Density functional theory calculations of structure, FT-IR and Raman spectra of S-phenyl thioacetate. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20111015 |
| Activity of increased specific and non-specific esterases and glutathione transferases associated with resistance to permethrin in pediculus humanus capitis (phthiraptera: pediculidae) from Argentina. | Parasitology research 20100101 |
| Stereoselective one-pot synthesis of substituted (4Z)-2-alkyl-4-benzylidene- 4H-1,3-benzothiazines. | The Journal of organic chemistry 20040625 |
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