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3-(piperazin-1-yl)-1??-thiolane-1,1-dione hydrochloride

3-(piperazin-1-yl)-1??-thiolane-1,1-dione hydrochloride

CAS: 1644381-18-9

Formula: C8H17ClN2O2S

SMILES: Cl.O=S1(=O)CCC(C1)N1CCNCC1

IUPAC: 3-(piperazin-1-yl)-1??-thiolane-1,1-dione hydrochloride

InChI: InChI=1/C8H16N2O2S.ClH/c11-13(12)6-1-8(7-13)10-4-2-9-3-5-10;/h8-9H,1-7H2;1H

Composition: C (39.91%), H (7.12%), Cl (14.73%), N (11.64%), O (13.29%), S (13.32%)

Molar Mass: 240.75

Atom Count: 31

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 240.0699267
Formal Charge 0
FSP3 1
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey QYFABGRAQQENFF-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.29
Topological Polar Surface Area 49.41
Polarizability 21.26
Ring Count 2
Rotatable Bond Count 1

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95% 1 Day 1644381-18-9 $187.11-$2,000.38$187.11$333.40$666.79$2,000.38
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