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Home Other Building Blocks Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,5-dimethyl-

Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,5-dimethyl-

CAS No.:
125-31-5
Catalog Number:
AG000MYJ
Molecular Formula:
C23H22O5S
Molecular Weight:
410.4828
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
≥ 90% (Dye content)
1 week
United States
$82
- +
25g
≥ 90% (Dye content)
1 week
United States
$213
- +
100g
≥ 90% (Dye content)
1 week
United States
$681
- +
250g
≥ 90% (Dye content)
1 week
United States
$1493
- +
Product Description
Catalog Number:
AG000MYJ
Chemical Name:
Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,5-dimethyl-
CAS Number:
125-31-5
Molecular Formula:
C23H22O5S
Molecular Weight:
410.4828
MDL Number:
MFCD00005870
IUPAC Name:
4-[3-(4-hydroxy-2,5-dimethylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2,5-dimethylphenol
InChI:
InChI=1S/C23H22O5S/c1-13-11-20(24)15(3)9-18(13)23(19-10-16(4)21(25)12-14(19)2)17-7-5-6-8-22(17)29(26,27)28-23/h5-12,24-25H,1-4H3
InChI Key:
MGUKYHHAGPFJMC-UHFFFAOYSA-N
SMILES:
Cc1cc(O)c(cc1C1(OS(=O)(=O)c2c1cccc2)c1cc(C)c(cc1C)O)C
EC Number:
204-736-5
UNII:
BRA8Z80WK7
NSC Number:
10471
Properties
Complexity:
671  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.119g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
410.484g/mol
Monoisotopic Mass:
410.119g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Properties