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113791-96-1 | Thiophene, 2-[[(1E)-2-phenylethenyl]thio]-
CAS No: 113791-96-1 Catalog No: AG0009OH MDL No:
Product Description
Catalog Number:
AG0009OH
Chemical Name:
Thiophene, 2-[[(1E)-2-phenylethenyl]thio]-
CAS Number:
113791-96-1
Molecular Formula:
C12H10S2
Molecular Weight:
218.3378
IUPAC Name:
2-(2-phenylethenylsulfanyl)thiophene
InChI:
InChI=1S/C12H10S2/c1-2-5-11(6-3-1)8-10-14-12-7-4-9-13-12/h1-10H
InChI Key:
AUBLGYYVCQSCDN-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)/C=C/Sc1cccs1
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.022g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.332g/mol
Monoisotopic Mass:
218.022g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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