Succinylsulfathiazole

CAT: 0024-sc-224293ASize: 500 gDry Ice: NoHazardous: No

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CAT#:0024-sc-224293ASize:500 g

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CAS Number

116-43-8

Chemical Information

Succinylsulfathiazole

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

CAS Number	116-43-8
PubChem CID	5315
IUPAC Name	4-oxo-4-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]butanoic acid
Molecular Formula	C13H13N3O5S2
Molecular Weight	355.4
XLogP	-0.7
Topological Polar Surface Area	162
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Heavy Atom Count	23
Formal Charge	0
Complexity	526

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

CAS: 116-43-8

CID: 5315

Formula: C13H13N3O5S2

MW: 355.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	355.4
XLogP3	-0.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	355.02966287
Monoisotopic Mass	355.02966287
Topological Polar Surface Area	162 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	526
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
C6685-100	Succinylsulfathiazole
HY-B0921R-01	Succinylsulfathiazole (Standard)