Home Fluorides 100478-25-9
100478-25-9,MFCD04038054
Catalog No.:AA000207
100478-25-9 | 4,6-Bis(difluoromethoxy)-2-(methylthio)pyrimidine
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Purity
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Price(USD)
Quantity
  
5g
>98.0%(GC)
1 week  
$88.00   $61.00
- +
25g
>98.0%(GC)
1 week  
$226.00   $158.00
- +
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Technical Information
Catalog Number:
AA000207
Chemical Name:
4,6-Bis(difluoromethoxy)-2-(methylthio)pyrimidine
CAS Number:
100478-25-9
Molecular Formula:
C7H6F4N2O2S
Molecular Weight:
258.1934
MDL Number:
MFCD04038054
IUPAC Name:
4,6-bis(difluoromethoxy)-2-methylsulfanylpyrimidine
InChI:
InChI=1S/C7H6F4N2O2S/c1-16-7-12-3(14-5(8)9)2-4(13-7)15-6(10)11/h2,5-6H,1H3
InChI Key:
HURDQHYOXAOOJJ-UHFFFAOYSA-N
SMILES:
CSc1nc(OC(F)F)cc(n1)OC(F)F
Properties
Computed Properties
 
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.009g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.191g/mol
Monoisotopic Mass:
258.009g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
69.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

Synonyms
 
4,6-Bis(difluoromethoxy)-2-(methylthio)pyrimidine 
100478-25-9 
AKOS026671276 
KS-0000170I 
TC-103039 
B2755 
4,6-bis-difluoromethoxy-2-methylthiopyrimidine 
J-000141 
4,6-Bis(difluoromethoxy)-2-(methylsulfanyl)pyrimidine 
I14-57044 
Pyrimidine,4,6-bis(difluoromethoxy)-2-(methylthio)- 
CID11043427 
ACMC-1BUYK 
4,6-bis(difluoromethoxy)-2-methylsulfanyl-pyrimidine 
SCHEMBL7586002 
CTK3J8977 
DTXSID90453127 
HURDQHYOXAOOJJ-UHFFFAOYSA-N 
ZINC2525140 
ANW-14294 
MFCD04038054 
Literature
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