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198906-72-8 | 3,3':4',3''-Terthiophene, 2',5'-dihydro-2,2'',5,5''-tetramethyl-
CAS No: 198906-72-8 Catalog No: AG002BT8 MDL No:
Product Description
Catalog Number:
AG002BT8
Chemical Name:
3,3':4',3''-Terthiophene, 2',5'-dihydro-2,2'',5,5''-tetramethyl-
CAS Number:
198906-72-8
Molecular Formula:
C16H18S3
Molecular Weight:
306.5091
IUPAC Name:
3-[4-(2,5-dimethylthiophen-3-yl)-2,5-dihydrothiophen-3-yl]-2,5-dimethylthiophene
InChI:
InChI=1S/C16H18S3/c1-9-5-13(11(3)18-9)15-7-17-8-16(15)14-6-10(2)19-12(14)4/h5-6H,7-8H2,1-4H3
InChI Key:
CQMCMZZVDGIOGJ-UHFFFAOYSA-N
SMILES:
Cc1sc(cc1C1=C(CSC1)c1cc(sc1C)C)C
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.057g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.5g/mol
Monoisotopic Mass:
306.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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