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101306-11-0 | 2,3':4',2''-Terthiophene
CAS No: 101306-11-0 Catalog No: AG00047D MDL No:MFCD01106341
Product Description
Catalog Number:
AG00047D
Chemical Name:
2,3':4',2''-Terthiophene
CAS Number:
101306-11-0
Molecular Formula:
C12H8S3
Molecular Weight:
248.3869
MDL Number:
MFCD01106341
IUPAC Name:
3,4-dithiophen-2-ylthiophene
InChI:
InChI=1S/C12H8S3/c1-3-11(14-5-1)9-7-13-8-10(9)12-4-2-6-15-12/h1-8H
InChI Key:
XMTNPHVYRJHQFV-UHFFFAOYSA-N
SMILES:
s1cc(c(c1)c1cccs1)c1cccs1
NSC Number:
700225
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.979g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.376g/mol
Monoisotopic Mass:
247.979g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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