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Home Other Building Blocks 3-Bromo-6-(methylthio)-1h-pyrazolo[3,4-d]pyrimidine

3-Bromo-6-(methylthio)-1h-pyrazolo[3,4-d]pyrimidine

CAS No.:
1306829-95-7
Catalog Number:
AG000UT5
Molecular Formula:
C6H5BrN4S
Molecular Weight:
245.0997
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$250
- +
1g
95%
In Stock USA
United States
$563
- +
5g
95%
In Stock USA
United States
$1688
- +
25g
95%
In Stock USA
United States
$5625
- +
100g
95%
In Stock USA
United States
$15500
- +
Product Description
Catalog Number:
AG000UT5
Chemical Name:
3-Bromo-6-(methylthio)-1h-pyrazolo[3,4-d]pyrimidine
CAS Number:
1306829-95-7
Molecular Formula:
C6H5BrN4S
Molecular Weight:
245.0997
MDL Number:
MFCD22415216
IUPAC Name:
3-bromo-6-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidine
InChI:
InChI=1S/C6H5BrN4S/c1-12-6-8-2-3-4(7)10-11-5(3)9-6/h2H,1H3,(H,8,9,10,11)
InChI Key:
PBEIXBIKEFRPGU-UHFFFAOYSA-N
SMILES:
CSc1ncc2c(n1)[nH]nc2Br
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.942g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.098g/mol
Monoisotopic Mass:
243.942g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties