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20177-84-8 | Ethanone, 2,2'-thiobis[1-(4-methoxyphenyl)-
CAS No: 20177-84-8 Catalog No: AG0027TS MDL No:
Product Description
Catalog Number:
AG0027TS
Chemical Name:
Ethanone, 2,2'-thiobis[1-(4-methoxyphenyl)-
CAS Number:
20177-84-8
Molecular Formula:
C18H18O4S
Molecular Weight:
330.3981
IUPAC Name:
1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylethanone
InChI:
InChI=1S/C18H18O4S/c1-21-15-7-3-13(4-8-15)17(19)11-23-12-18(20)14-5-9-16(22-2)10-6-14/h3-10H,11-12H2,1-2H3
InChI Key:
YUUJHRITZYUZIP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)CSCC(=O)c1ccc(cc1)OC
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.093g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.398g/mol
Monoisotopic Mass:
330.093g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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