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113386-75-7 | 2,2':5',2''-Terthiophene, 3-methyl- (9CI)
CAS No: 113386-75-7 Catalog No: AG0008DV MDL No:
Product Description
Catalog Number:
AG0008DV
Chemical Name:
2,2':5',2''-Terthiophene, 3-methyl- (9CI)
CAS Number:
113386-75-7
Molecular Formula:
C13H10S3
Molecular Weight:
262.4135
IUPAC Name:
2-(3-methylthiophen-2-yl)-5-thiophen-2-ylthiophene
InChI:
InChI=1S/C13H10S3/c1-9-6-8-15-13(9)12-5-4-11(16-12)10-3-2-7-14-10/h2-8H,1H3
InChI Key:
DDHABWAJQPWWIA-UHFFFAOYSA-N
SMILES:
Cc1ccsc1c1ccc(s1)c1cccs1
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.994g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.403g/mol
Monoisotopic Mass:
261.994g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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