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210626-00-9 | Benzene, 1,1'-[1,2-ethynediylbis(thiomethylene)]bis[4-methoxy-
CAS No: 210626-00-9 Catalog No: AG002KWU MDL No:
Product Description
Catalog Number:
AG002KWU
Chemical Name:
Benzene, 1,1'-[1,2-ethynediylbis(thiomethylene)]bis[4-methoxy-
CAS Number:
210626-00-9
Molecular Formula:
C18H18O2S2
Molecular Weight:
330.4643
IUPAC Name:
1-methoxy-4-[2-[(4-methoxyphenyl)methylsulfanyl]ethynylsulfanylmethyl]benzene
InChI:
InChI=1S/C18H18O2S2/c1-19-17-7-3-15(4-8-17)13-21-11-12-22-14-16-5-9-18(20-2)10-6-16/h3-10H,13-14H2,1-2H3
InChI Key:
BIGYPGOJCURKBG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CSC#CSCc1ccc(cc1)OC
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.075g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.46g/mol
Monoisotopic Mass:
330.075g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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