2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-1,3-benzothiazole

2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-1,3-benzothiazole

CAS: 672925-44-9

Formula: C17H16N2O2S2

SMILES: O=S(=O)(N1CCCC1C1=NC2=CC=CC=C2S1)C1=CC=CC=C1

IUPAC: 2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-1,3-benzothiazole

InChI: InChI=1/C17H16N2O2S2/c20-23(21,13-7-2-1-3-8-13)19-12-6-10-15(19)17-18-14-9-4-5-11-16(14)22-17/h1-5,7-9,11,15H,6,10,12H2

Composition: C (59.28%), H (4.68%), N (8.13%), O (9.29%), S (18.62%)

Molar Mass: 344.45

Atom Count: 39

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	344.065320111
Formal Charge	0
FSP3	0.24
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	LIXYWYGLRUVSSW-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	90.31
Topological Polar Surface Area	50.27
Polarizability	37.12
Ring Count	4
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	672925-44-9		$51.35-$524.40$51.35$63.37$86.31$524.40