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5-(3-methylpiperazin-1-ylsulfonyl)isoquinoline dihydrochloride

5-(3-methylpiperazin-1-ylsulfonyl)isoquinoline dihydrochloride

CAS: 140663-38-3

Formula: C14H19Cl2N3O2S

SMILES: Cl.Cl.CC1CN(CCN1)S(=O)(=O)C1=CC=CC2=CN=CC=C12

IUPAC: 5-[(3-methylpiperazin-1-yl)sulfonyl]isoquinoline dihydrochloride

InChI: InChI=1/C14H17N3O2S.2ClH/c1-11-10-17(8-7-16-11)20(18,19)14-4-2-3-12-9-15-6-5-13(12)14;;/h2-6,9,11,16H,7-8,10H2,1H3;2*1H

Composition: C (46.16%), H (5.26%), Cl (19.46%), N (11.54%), O (8.78%), S (8.80%)

Molar Mass: 364.29

Atom Count: 41

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 363.0575034
Formal Charge 0
FSP3 0.36
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey YHYNDFTUZMEYNX-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.48
Topological Polar Surface Area 62.3
Polarizability 32.22
Ring Count 3
Rotatable Bond Count 1

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Selleck Chemicals
Purity LeadTime CAS UnitPrice
98% <10 Days 140663-38-3 Quote Only
Molnova Chemicals
Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 140663-38-3 $62.68-$186.51$62.68$110.07$186.51
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