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88339-48-4 | Benzaldehyde, 2,3,5,6-tetramethyl-4-(methylthio)-
CAS No: 88339-48-4 Catalog No: AG0047WX MDL No:
Product Description
Catalog Number:
AG0047WX
Chemical Name:
Benzaldehyde, 2,3,5,6-tetramethyl-4-(methylthio)-
CAS Number:
88339-48-4
Molecular Formula:
C12H16OS
Molecular Weight:
208.3198
IUPAC Name:
2,3,5,6-tetramethyl-4-methylsulfanylbenzaldehyde
InChI:
InChI=1S/C12H16OS/c1-7-9(3)12(14-5)10(4)8(2)11(7)6-13/h6H,1-5H3
InChI Key:
KDXVOTRAZWSPCZ-UHFFFAOYSA-N
SMILES:
CSc1c(C)c(C)c(c(c1C)C)C=O
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.092g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.319g/mol
Monoisotopic Mass:
208.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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