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40769-89-9 | Thiazolo[5,4-d]pyrimidine-7(6H)-thione
CAS No: 40769-89-9 Catalog No: AG0075AI MDL No:
Product Description
Catalog Number:
AG0075AI
Chemical Name:
Thiazolo[5,4-d]pyrimidine-7(6H)-thione
CAS Number:
40769-89-9
Molecular Formula:
C5H3N3S2
Molecular Weight:
169.2274
IUPAC Name:
6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione
InChI:
InChI=1S/C5H3N3S2/c9-4-3-5(7-1-6-4)10-2-8-3/h1-2H,(H,6,7,9)
InChI Key:
LKMUGGHJDVQIQC-UHFFFAOYSA-N
SMILES:
S=c1[nH]cnc2c1ncs2
NSC Number:
315515
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.977g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.22g/mol
Monoisotopic Mass:
168.977g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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