CAS 52962-52-4 | 4-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)BENZOIC ACID | CAS Number 52962-52-4

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52962-52-4 | 4-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)BENZOIC ACID

CAS No: 52962-52-4 Catalog No: AG00DVKQ MDL No:MFCD07685833

Product Description

Catalog Number:

AG00DVKQ

Chemical Name:

4-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)BENZOIC ACID

CAS Number:

52962-52-4

Molecular Formula:

C10H11NO4S

Molecular Weight:

241.2636

MDL Number:

MFCD07685833

IUPAC Name:

4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoic acid

InChI:

InChI=1S/C10H11NO4S/c12-10(13)8-2-4-9(5-3-8)11-6-1-7-16(11,14)15/h2-5H,1,6-7H2,(H,12,13)

InChI Key:

DCRLGJUQBZUHLG-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(cc1)N1CCCS1(=O)=O

Properties

Complexity:

365

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

241.041g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

241.261g/mol

Monoisotopic Mass:

241.041g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501