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Thiamiprine

CAT: 0013-GTR19202247-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202247-01Size:25 mg
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Description
Thiamiprine
CAS Number
5581-52-2
Field of Research
Cell Biology, Molecular Biology
Smiles
S (C1=C2C (=NC (N) =N1) N=CN2) C3=C (N (=O) =O) N=CN3C
Molecular Formula
C9H8N8O2S
Molecular Weight
292.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Thiamiprine

Tiamiprine is an aryl sulfide.

CAS Number5581-52-2
PubChem CID3379405
IUPAC Name6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purin-2-amine
Molecular FormulaC9H8N8O2S
Molecular Weight292.28
XLogP-0.2
Topological Polar Surface Area169
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity381
SMILES
CN1C=NC(=C1SC2=NC(=NC3=C2NC=N3)N)[N+](=O)[O-]
InChI
InChI=1S/C9H8N8O2S/c1-16-3-13-6(17(18)19)8(16)20-7-4-5(12-2-11-4)14-9(10)15-7/h2-3H,1H3,(H3,10,11,12,14,15)
InChIKey
YFTWHEBLORWGNI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thiamiprine
CAS: 5581-52-2
CID: 3379405
Formula: C9H8N8O2S
MW: 292.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight292.28
XLogP3-0.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass292.04909270
Monoisotopic Mass292.04909270
Topological Polar Surface Area169 Ų
Heavy Atom Count20
Formal Charge0
Complexity381
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
MBS6045406-01Thiamiprine
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