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Home > Aldehydes > 138829-05-7
138829-05-7 | Benzaldehyde, 2,2'-[thiobis(methylene)]bis- (9CI)
CAS No: 138829-05-7 Catalog No: AG0019NZ MDL No:
Product Description
Catalog Number:
AG0019NZ
Chemical Name:
Benzaldehyde, 2,2'-[thiobis(methylene)]bis- (9CI)
CAS Number:
138829-05-7
Molecular Formula:
C16H14O2S
Molecular Weight:
270.3462
IUPAC Name:
2-[(2-formylphenyl)methylsulfanylmethyl]benzaldehyde
InChI:
InChI=1S/C16H14O2S/c17-9-13-5-1-3-7-15(13)11-19-12-16-8-4-2-6-14(16)10-18/h1-10H,11-12H2
InChI Key:
ULFFWNQOEULXCZ-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1CSCc1ccccc1C=O
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.071g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.346g/mol
Monoisotopic Mass:
270.071g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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