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Sulfathiazole sodium

CAT: 0607-B3432-5000Size: 5 gDry Ice: NoHazardous: No
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CAT#:0607-B3432-5000Size:5 g
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Description
Short-acting sulfa drug
CAS Number
144-74-1
Product Name Alternative
Sodium; (4-aminophenyl) sulfonyl- (1,3-thiazol-2-yl) azanide
Purity
0.98
Solubility
≥45.1 mg/mL in DMSO; ≥8.02 mg/mL in EtOH with ultrasonic; ≥45 mg/mL in H2O
Smiles
Nc (cc1) ccc1S ([N-]c1ncc[s]1) (=O) =O.[Na+]
Molecular Formula
C9H8N3NaO2S2
Molecular Weight
277.3
Storage Conditions
Store at -20°C

Chemical Information

Sodium sulfathiazole

Sulfathiazole sodium is a sulfonamide.

CAS Number144-74-1
PubChem CID12285822
IUPAC Namesodium (4-aminophenyl)sulfonyl-(1,3-thiazol-2-yl)azanide
Molecular FormulaC9H8N3NaO2S2
Molecular Weight277.3
Topological Polar Surface Area111
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity326
SMILES
C1=CC(=CC=C1N)S(=O)(=O)[N-]C2=NC=CS2.[Na+]
InChI
InChI=1S/C9H8N3O2S2.Na/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9;/h1-6H,10H2;/q-1;+1
InChIKey
GWIJGCIVKLITQK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sodium sulfathiazole
CAS: 144-74-1
CID: 12285822
Formula: C9H8N3NaO2S2
MW: 277.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight277.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass276.99556314
Monoisotopic Mass276.99556314
Topological Polar Surface Area111 Ų
Heavy Atom Count17
Formal Charge0
Complexity326
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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