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19813-91-3 | Ethanethioic acid, S-[1,1'-biphenyl]-4-yl ester
CAS No: 19813-91-3 Catalog No: AG002BAS MDL No:
Product Description
Catalog Number:
AG002BAS
Chemical Name:
Ethanethioic acid, S-[1,1'-biphenyl]-4-yl ester
CAS Number:
19813-91-3
Molecular Formula:
C14H12OS
Molecular Weight:
228.3095
IUPAC Name:
S-(4-phenylphenyl) ethanethioate
InChI:
InChI=1S/C14H12OS/c1-11(15)16-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10H,1H3
InChI Key:
WAORWYCFAUQMPU-UHFFFAOYSA-N
SMILES:
CC(=O)Sc1ccc(cc1)c1ccccc1
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.061g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.309g/mol
Monoisotopic Mass:
228.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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