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114478-87-4 | Benzene, 1-[bis(ethylthio)methyl]-2,4-dimethoxy-
CAS No: 114478-87-4 Catalog No: AG000EH2 MDL No:
Product Description
Catalog Number:
AG000EH2
Chemical Name:
Benzene, 1-[bis(ethylthio)methyl]-2,4-dimethoxy-
CAS Number:
114478-87-4
Molecular Formula:
C13H20O2S2
Molecular Weight:
272.4267
IUPAC Name:
1-[bis(ethylsulfanyl)methyl]-2,4-dimethoxybenzene
InChI:
InChI=1S/C13H20O2S2/c1-5-16-13(17-6-2)11-8-7-10(14-3)9-12(11)15-4/h7-9,13H,5-6H2,1-4H3
InChI Key:
QRCCDPAHSOJUFV-UHFFFAOYSA-N
SMILES:
CCSC(c1ccc(cc1OC)OC)SCC
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.421g/mol
Monoisotopic Mass:
272.09g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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