2-[(2,5-dioxopyrrolidin-3-yl)sulfanyl]benzoic acid

2-[(2,5-dioxopyrrolidin-3-yl)sulfanyl]benzoic acid

CAS: 459421-21-7

Formula: C11H9NO4S

SMILES: OC(=O)C1=C(SC2CC(=O)NC2=O)C=CC=C1

IUPAC: 2-[(2,5-dioxopyrrolidin-3-yl)sulfanyl]benzoic acid

InChI: InChI=1/C11H9NO4S/c13-9-5-8(10(14)12-9)17-7-4-2-1-3-6(7)11(15)16/h1-4,8H,5H2,(H,15,16)(H,12,13,14)

Composition: C (52.58%), H (3.61%), N (5.57%), O (25.47%), S (12.76%)

Molar Mass: 251.26

Atom Count: 26

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	251.025228948
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	DGTHQWTWIDOTRD-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.58
Topological Polar Surface Area	83.47
Polarizability	23.72
Ring Count	2
Rotatable Bond Count	3

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