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1216-03-1 | Benzaldehyde, 4,4'-thiobis-
CAS No: 1216-03-1 Catalog No: AG0015DF MDL No:
Product Description
Catalog Number:
AG0015DF
Chemical Name:
Benzaldehyde, 4,4'-thiobis-
CAS Number:
1216-03-1
Molecular Formula:
C14H10O2S
Molecular Weight:
242.2930
IUPAC Name:
4-(4-formylphenyl)sulfanylbenzaldehyde
InChI:
InChI=1S/C14H10O2S/c15-9-11-1-5-13(6-2-11)17-14-7-3-12(10-16)4-8-14/h1-10H
InChI Key:
GWTWOYXFOWVANH-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)Sc1ccc(cc1)C=O
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.04g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.292g/mol
Monoisotopic Mass:
242.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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