Home Other Building Blocks 2-(TERT-BUTYLTHIO)BENZALDEHYDE

2-(TERT-BUTYLTHIO)BENZALDEHYDE

CAS No.:
65924-65-4
Catalog Number:
AG003F4U
Molecular Formula:
C11H14OS
Molecular Weight:
194.2933
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$87
- +
5g
1 week
United States
$255
- +
10g
1 week
United States
$427
- +
Product Description
Catalog Number:
AG003F4U
Chemical Name:
2-(TERT-BUTYLTHIO)BENZALDEHYDE
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
Properties