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881735-79-1 | Anthracene, 9,10-bis[(ethylthio)methyl]-
CAS No: 881735-79-1 Catalog No: AG004CJ5 MDL No:
Product Description
Catalog Number:
AG004CJ5
Chemical Name:
Anthracene, 9,10-bis[(ethylthio)methyl]-
CAS Number:
881735-79-1
Molecular Formula:
C20H22S2
Molecular Weight:
326.5187
IUPAC Name:
9,10-bis(ethylsulfanylmethyl)anthracene
InChI:
InChI=1S/C20H22S2/c1-3-21-13-19-15-9-5-7-11-17(15)20(14-22-4-2)18-12-8-6-10-16(18)19/h5-12H,3-4,13-14H2,1-2H3
InChI Key:
VGDZSXRMPMRRSK-UHFFFAOYSA-N
SMILES:
CCSCc1c2ccccc2c(c2c1cccc2)CSCC
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.516g/mol
Monoisotopic Mass:
326.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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