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76100-20-4 | 2-Thiophenecarboxaldehyde, 5-(phenylthio)-
CAS No: 76100-20-4 Catalog No: AG005RTV MDL No:
Product Description
Catalog Number:
AG005RTV
Chemical Name:
2-Thiophenecarboxaldehyde, 5-(phenylthio)-
CAS Number:
76100-20-4
Molecular Formula:
C11H8OS2
Molecular Weight:
220.3106
IUPAC Name:
5-phenylsulfanylthiophene-2-carbaldehyde
InChI:
InChI=1S/C11H8OS2/c12-8-10-6-7-11(14-10)13-9-4-2-1-3-5-9/h1-8H
InChI Key:
KZQXOSNRJVXWEB-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(s1)Sc1ccccc1
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.002g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.304g/mol
Monoisotopic Mass:
220.002g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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