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210473-92-0 | Thieno[3,4-b]-1,4-dioxin, 5,5'-(3-octyl-2,5-thiophenediyl)bis[2,3-dihydro- (9CI)
CAS No: 210473-92-0 Catalog No: AG002KSG MDL No:
Product Description
Catalog Number:
AG002KSG
Chemical Name:
Thieno[3,4-b]-1,4-dioxin, 5,5'-(3-octyl-2,5-thiophenediyl)bis[2,3-dihydro- (9CI)
CAS Number:
210473-92-0
Molecular Formula:
C24H28O4S3
Molecular Weight:
476.6717
IUPAC Name:
5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3-octylthiophen-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
InChI:
InChI=1S/C24H28O4S3/c1-2-3-4-5-6-7-8-16-13-19(23-20-17(14-29-23)25-9-11-27-20)31-22(16)24-21-18(15-30-24)26-10-12-28-21/h13-15H,2-12H2,1H3
InChI Key:
HZFRXNDATFXWQV-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1cc(sc1c1scc2c1OCCO2)c1scc2c1OCCO2
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
476.115g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
476.664g/mol
Monoisotopic Mass:
476.115g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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