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3-{[2-(pyrrolidin-1-yl)phenyl]amino}-1??,2-benzothiazole-1,1-dione

3-{[2-(pyrrolidin-1-yl)phenyl]amino}-1??,2-benzothiazole-1,1-dione

CAS: 874590-32-6

Formula: C17H17N3O2S

SMILES: O=S1(=O)N=C(NC2=CC=CC=C2N2CCCC2)C2=CC=CC=C12

IUPAC: 3-{[2-(pyrrolidin-1-yl)phenyl]amino}-1??,2-benzothiazole-1,1-dione

InChI: InChI=1S/C17H17N3O2S/c21-23(22)16-10-4-1-7-13(16)17(19-23)18-14-8-2-3-9-15(14)20-11-5-6-12-20/h1-4,7-10H,5-6,11-12H2,(H,18,19)

Composition: C (62.37%), H (5.23%), N (12.83%), O (9.77%), S (9.79%)

Molar Mass: 327.4

Atom Count: 40

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 327.104147973
Formal Charge 0
FSP3 0.24
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey LONXCUOJVJLTIP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 92.68
Topological Polar Surface Area 61.77
Polarizability 34.79
Ring Count 4
Rotatable Bond Count 2

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Selleck Chemicals
Purity LeadTime CAS UnitPrice
98% <10 Days 874590-32-6 Quote Only
Molnova Chemicals
Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 874590-32-6 $124.60-$1,018.95$124.60$210.97$380.67$571.01$1,018.95
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