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2-Thio-6-azauridine

CAT: 0804-HY-W039272-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W039272-01Size:25 mg
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Description
2-Thio-6-azauridine is a biochemical assay reagent.
CAS Number
27089-56-1
UNSPSC
12352200
Hazard Statement
H302, H315, H319, H335
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/2-thio-6-azauridine.html
Purity
97.0
Smiles
O[C@H]1[C@H](N2C(NC(C=N2)=O)=S)O[C@@H]([C@H]1O)CO
Molecular Formula
C8H11N3O5S
Molecular Weight
261.26
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen)
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

2-Thio-6-azauridine

structure

CAS Number27089-56-1
PubChem CID2802520
IUPAC Name2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-sulfanylidene-1,2,4-triazin-5-one
Molecular FormulaC8H11N3O5S
Molecular Weight261.26
XLogP-1.5
Topological Polar Surface Area147
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity376
SMILES
C1=NN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C8H11N3O5S/c12-2-3-5(14)6(15)7(16-3)11-8(17)10-4(13)1-9-11/h1,3,5-7,12,14-15H,2H2,(H,10,13,17)/t3-,5-,6-,7-/m1/s1
InChIKey
TVCBDTCUOVDLNZ-SHUUEZRQSA-N
Chemical Structure
2D Structure
2D structure of 2-Thio-6-azauridine
CAS: 27089-56-1
CID: 2802520
Formula: C8H11N3O5S
MW: 261.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight261.26
XLogP3-1.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass261.04194163
Monoisotopic Mass261.04194163
Topological Polar Surface Area147 Ų
Heavy Atom Count17
Formal Charge0
Complexity376
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes