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15923-46-3 | 9H-Purine, 9-ethyl-6-[(1-methylethyl)thio]-
CAS No: 15923-46-3 Catalog No: AG001QKZ MDL No:
Product Description
Catalog Number:
AG001QKZ
Chemical Name:
9H-Purine, 9-ethyl-6-[(1-methylethyl)thio]-
CAS Number:
15923-46-3
Molecular Formula:
C10H14N4S
Molecular Weight:
222.3100
IUPAC Name:
9-ethyl-6-propan-2-ylsulfanylpurine
InChI:
InChI=1S/C10H14N4S/c1-4-14-6-13-8-9(14)11-5-12-10(8)15-7(2)3/h5-7H,4H2,1-3H3
InChI Key:
VPRNEUZJOSJGRL-UHFFFAOYSA-N
SMILES:
CCn1cnc2c1ncnc2SC(C)C
NSC Number:
97833
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.31g/mol
Monoisotopic Mass:
222.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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