3-hydroxy-4-[(2-hydroxyethyl)amino]-1??-thiolane-1,1-dione

3-hydroxy-4-[(2-hydroxyethyl)amino]-1??-thiolane-1,1-dione

CAS: 302581-36-8

Formula: C6H13NO4S

SMILES: OCCNC1CS(=O)(=O)CC1O

IUPAC: 3-hydroxy-4-[(2-hydroxyethyl)amino]-1??-thiolane-1,1-dione

InChI: InChI=1/C6H13NO4S/c8-2-1-7-5-3-12(10,11)4-6(5)9/h5-9H,1-4H2

Composition: C (36.91%), H (6.71%), N (7.17%), O (32.78%), S (16.42%)

Molar Mass: 195.23

Atom Count: 25

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	195.056529077
Formal Charge	0
FSP3	1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	NAEPTSKEUROVQX-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.22
Topological Polar Surface Area	86.63
Polarizability	18.13
Ring Count	1
Rotatable Bond Count	3

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