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7597-61-7 | 6,7-dihydro[1,3]thiazolo[2,3-f]purine
CAS No: 7597-61-7 Catalog No: AG00595T MDL No:
Product Description
Catalog Number:
AG00595T
Chemical Name:
6,7-dihydro[1,3]thiazolo[2,3-f]purine
CAS Number:
7597-61-7
Molecular Formula:
C7H6N4S
Molecular Weight:
178.2143
IUPAC Name:
7,8-dihydropurino[8,7-b][1,3]thiazole
InChI:
InChI=1S/C7H6N4S/c1-2-12-7-10-6-5(11(1)7)3-8-4-9-6/h3-4H,1-2H2
InChI Key:
IXGGEUKGYQJJOI-UHFFFAOYSA-N
SMILES:
n1cnc2c(c1)n1CCSc1n2
NSC Number:
42308
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.031g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.213g/mol
Monoisotopic Mass:
178.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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