3-(ethylamino)-4-hydroxy-1??-thiolane-1,1-dione

3-(ethylamino)-4-hydroxy-1??-thiolane-1,1-dione

CAS: 66335-84-0

Formula: C6H13NO3S

SMILES: CCNC1CS(=O)(=O)CC1O

IUPAC: 3-(ethylamino)-4-hydroxy-1??-thiolane-1,1-dione

InChI: InChI=1/C6H13NO3S/c1-2-7-5-3-11(9,10)4-6(5)8/h5-8H,2-4H2,1H3

Composition: C (40.21%), H (7.31%), N (7.81%), O (26.78%), S (17.89%)

Molar Mass: 179.23

Atom Count: 24

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	179.061614457
Formal Charge	0
FSP3	1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	YXUFFWJIYMWWIG-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.68
Topological Polar Surface Area	66.4
Polarizability	17.45
Ring Count	1
Rotatable Bond Count	2

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