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Home > Bromides > 1306829-95-7
1306829-95-7 | 1H-Pyrazolo[3,4-d]pyrimidine, 3-bromo-6-(methylthio)-
CAS No: 1306829-95-7 Catalog No: AG000UT5 MDL No:MFCD22415216
Product Description
Catalog Number:
AG000UT5
Chemical Name:
1H-Pyrazolo[3,4-d]pyrimidine, 3-bromo-6-(methylthio)-
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
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