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Isosulfamethoxazole

CAT: 0572-TRC-I902230-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-I902230-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17103-52-5
Synonyms
Sulfamethoxazole EP impurity F
Hazard Statement
Causes skin irritation.
Purity
>95% (HPLC)
Smiles
Cc1cc(NS(=O)(=O)c2ccc(N)cc2)on1
Molecular Formula
C10 H11 N3 O3 S
Molecular Weight
253.28
InChI
InChI=1S/C10H11N3O3S/c1-7-6-10(16-12-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6,13H,11H2,1H3
Additionnal Information
IUPAC name: 4-amino-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

5-Sulfanilamido-3-methylisoxazole
CAS Number17103-52-5
PubChem CID10444974
IUPAC Name4-amino-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
Molecular FormulaC10H11N3O3S
Molecular Weight253.28
XLogP0.9
Topological Polar Surface Area107
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity346
SMILES
CC1=NOC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C10H11N3O3S/c1-7-6-10(16-12-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6,13H,11H2,1H3
InChIKey
KBLGZYOVYFTAOB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Sulfanilamido-3-methylisoxazole
CAS: 17103-52-5
CID: 10444974
Formula: C10H11N3O3S
MW: 253.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight253.28
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass253.05211239
Monoisotopic Mass253.05211239
Topological Polar Surface Area107 Ų
Heavy Atom Count17
Formal Charge0
Complexity346
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
452753-01Isosulfamethoxazole

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