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

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

CAS: 436852-26-5

Formula: C8H18Cl2N2O2S

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

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

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

Composition: C (34.66%), H (6.55%), Cl (25.58%), N (10.11%), O (11.54%), S (11.57%)

Molar Mass: 277.2

Atom Count: 33

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	276.0466044
Formal Charge	0
FSP3	1
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	HQSKULSOPQPFDJ-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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