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88339-47-3 | Benzaldehyde, 2,3,4,5-tetramethyl-6-(methylthio)-
CAS No: 88339-47-3 Catalog No: AG0089MY MDL No:
Product Description
Catalog Number:
AG0089MY
Chemical Name:
Benzaldehyde, 2,3,4,5-tetramethyl-6-(methylthio)-
CAS Number:
88339-47-3
Molecular Formula:
C12H16OS
Molecular Weight:
208.3198
IUPAC Name:
2,3,4,5-tetramethyl-6-methylsulfanylbenzaldehyde
InChI:
InChI=1S/C12H16OS/c1-7-8(2)10(4)12(14-5)11(6-13)9(7)3/h6H,1-5H3
InChI Key:
JULJMZZUGBHQCD-UHFFFAOYSA-N
SMILES:
CSc1c(C=O)c(C)c(c(c1C)C)C
Properties
Complexity:
205
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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