2-(1,1-dioxo-1??-thiomorpholin-4-yl)-3-(1H-indol-3-yl)propanoic acid

2-(1,1-dioxo-1??-thiomorpholin-4-yl)-3-(1H-indol-3-yl)propanoic acid

CAS: 477858-37-0

Formula: C15H18N2O4S

SMILES: OC(=O)C(CC1=CNC2=CC=CC=C12)N1CCS(=O)(=O)CC1

IUPAC: 2-(1,1-dioxo-1??-thiomorpholin-4-yl)-3-(1H-indol-3-yl)propanoic acid

InChI: InChI=1/C15H18N2O4S/c18-15(19)14(17-5-7-22(20,21)8-6-17)9-11-10-16-13-4-2-1-3-12(11)13/h1-4,10,14,16H,5-9H2,(H,18,19)

Composition: C (55.89%), H (5.63%), N (8.69%), O (19.85%), S (9.94%)

Molar Mass: 322.38

Atom Count: 40

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	322.098728242
Formal Charge	0
FSP3	0.4
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	OHCJVAIZNSEZTF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.87
Topological Polar Surface Area	90.47
Polarizability	33.91
Ring Count	3
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	477858-37-0		$51.35-$359.43$51.35$63.37$75.38$86.31$120.18$359.43