4-(2-hydroxyethyl)-1??-thiomorpholine-1,1-dione

4-(2-hydroxyethyl)-1??-thiomorpholine-1,1-dione

CAS: 26475-62-7

Formula: C6H13NO3S

SMILES: OCCN1CCS(=O)(=O)CC1

IUPAC: 4-(2-hydroxyethyl)-1??-thiomorpholine-1,1-dione

InChI: InChI=1S/C6H13NO3S/c8-4-1-7-2-5-11(9,10)6-3-7/h8H,1-6H2

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	0
Exact Mass	179.061614457
Formal Charge	0
FSP3	1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	GILLKIJFJOBJCD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.88
Topological Polar Surface Area	57.61
Polarizability	17.45
Ring Count	1
Rotatable Bond Count	2

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