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147212-47-3 | Thiophene, 2,2'-(1E)-1,2-ethenediylbis[3,4-dibutoxy-
CAS No: 147212-47-3 Catalog No: AG001EPI MDL No:
Product Description
Catalog Number:
AG001EPI
Chemical Name:
Thiophene, 2,2'-(1E)-1,2-ethenediylbis[3,4-dibutoxy-
CAS Number:
147212-47-3
Molecular Formula:
C26H40O4S2
Molecular Weight:
480.7234
IUPAC Name:
3,4-dibutoxy-2-[2-(3,4-dibutoxythiophen-2-yl)ethenyl]thiophene
InChI:
InChI=1S/C26H40O4S2/c1-5-9-15-27-21-19-31-23(25(21)29-17-11-7-3)13-14-24-26(30-18-12-8-4)22(20-32-24)28-16-10-6-2/h13-14,19-20H,5-12,15-18H2,1-4H3
InChI Key:
VXIFALGZEMHJRL-UHFFFAOYSA-N
SMILES:
CCCCOc1c(/C=C/c2scc(c2OCCCC)OCCCC)scc1OCCCC
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
480.237g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
480.722g/mol
Monoisotopic Mass:
480.237g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
8.5
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