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130876-55-0 | Acetic acid, 2-[(4-hydroxyphenyl)thio]-, 2-[(4-hydroxyphenyl)thio]ethyl ester
CAS No: 130876-55-0 Catalog No: AG000V27 MDL No:
Product Description
Catalog Number:
AG000V27
Chemical Name:
Acetic acid, 2-[(4-hydroxyphenyl)thio]-, 2-[(4-hydroxyphenyl)thio]ethyl ester
CAS Number:
130876-55-0
Molecular Formula:
C16H16O4S2
Molecular Weight:
336.4258
IUPAC Name:
2-(4-hydroxyphenyl)sulfanylethyl 2-(4-hydroxyphenyl)sulfanylacetate
InChI:
InChI=1S/C16H16O4S2/c17-12-1-5-14(6-2-12)21-10-9-20-16(19)11-22-15-7-3-13(18)4-8-15/h1-8,17-18H,9-11H2
InChI Key:
DEJYCAZJGREAHA-UHFFFAOYSA-N
SMILES:
O=C(CSc1ccc(cc1)O)OCCSc1ccc(cc1)O
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.049g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
336.42g/mol
Monoisotopic Mass:
336.049g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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