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65924-65-4 | 2-(tert-Butylthio)benzaldehyde, 96%
CAS No: 65924-65-4 Catalog No: AG003F4U MDL No:MFCD00040294
Product Description
Catalog Number:
AG003F4U
Chemical Name:
2-(tert-Butylthio)benzaldehyde, 96%
CAS Number:
65924-65-4
Molecular Formula:
C11H14OS
Molecular Weight:
194.2933
MDL Number:
MFCD00040294
IUPAC Name:
2-tert-butylsulfanylbenzaldehyde
InChI:
InChI=1S/C11H14OS/c1-11(2,3)13-10-7-5-4-6-9(10)8-12/h4-8H,1-3H3
InChI Key:
KQQXCBJAELTJRT-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1SC(C)(C)C
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.077g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.292g/mol
Monoisotopic Mass:
194.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Modelling the impact of geometric parameters on the redox potential of blue copper proteins. | Journal of inorganic biochemistry 20060201 |
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