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Xanthiazone

CAT: 0804-HY-107232-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-107232-02Size:5 mg
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Description
Xanthiazone is a thiazinedione[1].
CAS Number
212701-97-8
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/xanthiazone.html
Solubility
10 mM in DMSO
Smiles
O=C1C(N2)=C(SCC2=O)C(C)(C)C(CO)=C1
Molecular Formula
C11H13NO3S
Molecular Weight
239.29
References & Citations
[1]Ying-TsunMa, et al. Thiazinedione from xanthium strumarium. Phytochemistry (1998), 48 (6), 1083-1085
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Xanthiazone
CAS Number212701-97-8
PubChem CID15945057
IUPAC Name7-(hydroxymethyl)-8,8-dimethyl-4H-1,4-benzothiazine-3,5-dione
Molecular FormulaC11H13NO3S
Molecular Weight239.29
XLogP0.1
Topological Polar Surface Area91.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity435
SMILES
CC1(C(=CC(=O)C2=C1SCC(=O)N2)CO)C
InChI
InChI=1S/C11H13NO3S/c1-11(2)6(4-13)3-7(14)9-10(11)16-5-8(15)12-9/h3,13H,4-5H2,1-2H3,(H,12,15)
InChIKey
DNLBWKAXMIGTSS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Xanthiazone
CAS: 212701-97-8
CID: 15945057
Formula: C11H13NO3S
MW: 239.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight239.29
XLogP30.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass239.06161445
Monoisotopic Mass239.06161445
Topological Polar Surface Area91.7 Ų
Heavy Atom Count16
Formal Charge0
Complexity435
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

Alternative Products

CatalogName
MBS5761016Xanthiazone
A14626-25Xanthiazone 25mg
A14626-10Xanthiazone 10mg
A14626-5Xanthiazone 5mg
A14626-10mM-DXanthiazone 10mM * 1mL in DMSO
468851-01Xanthiazone O-β-D-glucoside

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