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114410-24-1 | Thiophene, 3,3'-[1,2-bis(methylene)-1,2-ethanediyl]bis[2,4,5-trimethyl- (9CI)
CAS No: 114410-24-1 Catalog No: AG000BA2 MDL No:
Product Description
Catalog Number:
AG000BA2
Chemical Name:
Thiophene, 3,3'-[1,2-bis(methylene)-1,2-ethanediyl]bis[2,4,5-trimethyl- (9CI)
CAS Number:
114410-24-1
Molecular Formula:
C18H22S2
Molecular Weight:
302.4973
IUPAC Name:
2,3,5-trimethyl-4-[3-(2,4,5-trimethylthiophen-3-yl)buta-1,3-dien-2-yl]thiophene
InChI:
InChI=1S/C18H22S2/c1-9(17-11(3)13(5)19-15(17)7)10(2)18-12(4)14(6)20-16(18)8/h1-2H2,3-8H3
InChI Key:
DHLRIHDJQJOMFS-UHFFFAOYSA-N
SMILES:
Cc1sc(c(c1C(=C)C(=C)c1c(C)sc(c1C)C)C)C
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.494g/mol
Monoisotopic Mass:
302.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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