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100118-76-1 | 2,2'-Bithiophene, 3,3',4,4'-tetramethyl-
CAS No: 100118-76-1 Catalog No: AG0000ZY MDL No:
Product Description
Catalog Number:
AG0000ZY
Chemical Name:
2,2'-Bithiophene, 3,3',4,4'-tetramethyl-
CAS Number:
100118-76-1
Molecular Formula:
C12H14S2
Molecular Weight:
222.3696
IUPAC Name:
2-(3,4-dimethylthiophen-2-yl)-3,4-dimethylthiophene
InChI:
InChI=1S/C12H14S2/c1-7-5-13-11(9(7)3)12-10(4)8(2)6-14-12/h5-6H,1-4H3
InChI Key:
XICJRRJECOCSQQ-UHFFFAOYSA-N
SMILES:
Cc1c(C)csc1c1scc(c1C)C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.054g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.364g/mol
Monoisotopic Mass:
222.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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