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2881-90-5 | 9H-Purine-9-ethanol, 6-[(phenylmethyl)thio]-
CAS No: 2881-90-5 Catalog No: AG002WMA MDL No:
Product Description
Catalog Number:
AG002WMA
Chemical Name:
9H-Purine-9-ethanol, 6-[(phenylmethyl)thio]-
CAS Number:
2881-90-5
Molecular Formula:
C14H14N4OS
Molecular Weight:
286.3522
IUPAC Name:
2-(6-benzylsulfanylpurin-9-yl)ethanol
InChI:
InChI=1S/C14H14N4OS/c19-7-6-18-10-17-12-13(18)15-9-16-14(12)20-8-11-4-2-1-3-5-11/h1-5,9-10,19H,6-8H2
InChI Key:
GQBCTNNUQRHJDO-UHFFFAOYSA-N
SMILES:
OCCn1cnc2c1ncnc2SCc1ccccc1
NSC Number:
55462
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.089g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.353g/mol
Monoisotopic Mass:
286.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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