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259102-55-1 | Thiazolo[4,5-d]pyrimidine, 2-bromo-7-chloro-5-[(phenylmethyl)thio]-
CAS No: 259102-55-1 Catalog No: AG002QZN MDL No:
Product Description
Catalog Number:
AG002QZN
Chemical Name:
Thiazolo[4,5-d]pyrimidine, 2-bromo-7-chloro-5-[(phenylmethyl)thio]-
CAS Number:
259102-55-1
Molecular Formula:
C12H7BrClN3S2
Molecular Weight:
372.6911
IUPAC Name:
5-benzylsulfanyl-2-bromo-7-chloro-[1,3]thiazolo[4,5-d]pyrimidine
InChI:
InChI=1S/C12H7BrClN3S2/c13-11-16-10-8(19-11)9(14)15-12(17-10)18-6-7-4-2-1-3-5-7/h1-5H,6H2
InChI Key:
XLRUZCUIVQWNJX-UHFFFAOYSA-N
SMILES:
Brc1sc2c(n1)nc(nc2Cl)SCc1ccccc1
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.895g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.683g/mol
Monoisotopic Mass:
370.895g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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