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208125-85-3 | 2,2':5',2''-Terthiophene, 3'-ethynyl-
CAS No: 208125-85-3 Catalog No: AG002JIU MDL No:
Product Description
Catalog Number:
AG002JIU
Chemical Name:
2,2':5',2''-Terthiophene, 3'-ethynyl-
CAS Number:
208125-85-3
Molecular Formula:
C14H8S3
Molecular Weight:
272.4083
IUPAC Name:
3-ethynyl-2,5-dithiophen-2-ylthiophene
InChI:
InChI=1S/C14H8S3/c1-2-10-9-13(11-5-3-7-15-11)17-14(10)12-6-4-8-16-12/h1,3-9H
InChI Key:
KBERJWWOBPGQGP-UHFFFAOYSA-N
SMILES:
C#Cc1cc(sc1c1cccs1)c1cccs1
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.979g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.398g/mol
Monoisotopic Mass:
271.979g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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