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2′-Deoxy-6-thioinosine

CAT: 0931-TNU0979-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TNU0979-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2239-64-7
Target
Others, Nucleoside Antimetabolite/Analog
Related Pathways
Cell Cycle/Checkpoint, Others, DNA Damage/DNA Repair
Bioactivity
2'-Deoxy-6-thioinosine is a Nucleoside Derivative - Thio-nucleoside.
Smiles
S=C1C2=C(N(C=N2)[C@@H]3O[C@H](CO)[C@@H](O)C3)NC=N1
Molecular Formula
C10H12N4O3S
Molecular Weight
268.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2'-Deoxy-6-thioinosine

structure in first source

CAS Number2239-64-7
PubChem CID3037127
IUPAC Name9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione
Molecular FormulaC10H12N4O3S
Molecular Weight268.29
XLogP-1.1
Topological Polar Surface Area124
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity380
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC=NC3=S)CO)O
InChI
InChI=1S/C10H12N4O3S/c15-2-6-5(16)1-7(17-6)14-4-13-8-9(14)11-3-12-10(8)18/h3-7,15-16H,1-2H2,(H,11,12,18)/t5-,6+,7+/m0/s1
InChIKey
WACLJMMBCDNRJE-RRKCRQDMSA-N
Chemical Structure
2D Structure
2D structure of 2'-Deoxy-6-thioinosine
CAS: 2239-64-7
CID: 3037127
Formula: C10H12N4O3S
MW: 268.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight268.29
XLogP3-1.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass268.06301143
Monoisotopic Mass268.06301143
Topological Polar Surface Area124 Ų
Heavy Atom Count18
Formal Charge0
Complexity380
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-1544672′-Deoxy-6-thioinosine
MBS58265732'-Deoxy-6-thioinosine
MBS3610954-016-?Thioinosine
MBS3842876-016-Thioinosine
M20969-016-​Thioinosine
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