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Home > Aldehydes > 918882-56-1
918882-56-1 | Benzaldehyde, 2,6-bis[(2-hydroxyethyl)thio]-
CAS No: 918882-56-1 Catalog No: AG006ANY MDL No:
Product Description
Catalog Number:
AG006ANY
Chemical Name:
Benzaldehyde, 2,6-bis[(2-hydroxyethyl)thio]-
CAS Number:
918882-56-1
Molecular Formula:
C11H14O3S2
Molecular Weight:
258.3571
IUPAC Name:
2,6-bis(2-hydroxyethylsulfanyl)benzaldehyde
InChI:
InChI=1S/C11H14O3S2/c12-4-6-15-10-2-1-3-11(9(10)8-14)16-7-5-13/h1-3,8,12-13H,4-7H2
InChI Key:
RAPPXGDQNWRISS-UHFFFAOYSA-N
SMILES:
OCCSc1cccc(c1C=O)SCCO
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.038g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.35g/mol
Monoisotopic Mass:
258.038g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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