3-(methylamino)-1??-thiolane-1,1-dione hydrochloride

3-(methylamino)-1??-thiolane-1,1-dione hydrochloride

CAS: 53287-53-9

Formula: C5H12ClNO2S

SMILES: Cl.CNC1CCS(=O)(=O)C1

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

InChI: InChI=1/C5H11NO2S.ClH/c1-6-5-2-3-9(7,8)4-5;/h5-6H,2-4H2,1H3;1H

Composition: C (32.35%), H (6.51%), Cl (19.09%), N (7.54%), O (17.23%), S (17.27%)

Molar Mass: 185.67

Atom Count: 22

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	185.0277275
Formal Charge	0
FSP3	1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	VCMVJUKSMDLDPE-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.24
Topological Polar Surface Area	46.17
Polarizability	14.95
Ring Count	1
Rotatable Bond Count	1

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