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Succinylsulfathiazole

CAT: 0572-TRC-S692170-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-S692170-1GSize:1 g
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CAS Number
116-43-8
Synonyms
Butanoic acid, 4-oxo-4-[[4-[(2-thiazolylamino)sulfonyl]phenyl]amino]-;Succinanilic acid, 4'-(2-thiazolylsulfamoyl)- (7CI,8CI); 2-(N4-Succinylsulfanilamido)thiazole; 4'-(2-Thiazolylsulfamoyl)succinanilic acid; Colistatin; Cremosuxidine; Kaoxidin; Kaoxidine; NSC 14193; NSC 163939; Rolsul; Succinylsulfathiazole; Succinylsulphathiazole; Sulfadigesin; Sulfasuccidin; Sulfasuccidine; Sulfasuccinil; Sulfasuccithiazole; Sulfasuxidine; Sulfenterone; Thiacyl; p-2-Thiazolylsulfamylsuccinanilic acid
Hazard Statement
May cause an allergic skin reaction
Purity
>95% (HPLC)
Smiles
OC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nccs2
Molecular Formula
C13 H13 N3 O5 S2
Molecular Weight
355.39
InChI
InChI=1S/C13H13N3O5S2/c17-11(5-6-12(18)19)15-9-1-3-10(4-2-9)23(20,21)16-13-14-7-8-22-13/h1-4,7-8H,5-6H2,(H,14,16)(H,15,17)(H,18,19)
Additionnal Information
IUPAC name: 4-oxo-4-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]butanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Succinylsulfathiazole

N-succinylsulfathiazole is a member of 1,3-thiazoles. It is functionally related to a sulfathiazole.

CAS Number116-43-8
PubChem CID5315
IUPAC Name4-oxo-4-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]butanoic acid
Molecular FormulaC13H13N3O5S2
Molecular Weight355.4
XLogP-0.7
Topological Polar Surface Area162
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count23
Formal Charge0
Complexity526
SMILES
C1=CC(=CC=C1NC(=O)CCC(=O)O)S(=O)(=O)NC2=NC=CS2
InChI
InChI=1S/C13H13N3O5S2/c17-11(5-6-12(18)19)15-9-1-3-10(4-2-9)23(20,21)16-13-14-7-8-22-13/h1-4,7-8H,5-6H2,(H,14,16)(H,15,17)(H,18,19)
InChIKey
SKVLYVHULOWXTD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Succinylsulfathiazole
CAS: 116-43-8
CID: 5315
Formula: C13H13N3O5S2
MW: 355.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight355.4
XLogP3-0.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass355.02966287
Monoisotopic Mass355.02966287
Topological Polar Surface Area162 Ų
Heavy Atom Count23
Formal Charge0
Complexity526
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