ethyl thiomorpholine-3-carboxylate

ethyl thiomorpholine-3-carboxylate

CAS: 58729-31-0

Formula: C7H13NO2S

SMILES: CCOC(=O)C1CSCCN1

IUPAC: ethyl thiomorpholine-3-carboxylate

InChI: InChI=1/C7H13NO2S/c1-2-10-7(9)6-5-11-4-3-8-6/h6,8H,2-5H2,1H3

Composition: C (47.98%), H (7.48%), N (7.99%), O (18.26%), S (18.29%)

Molar Mass: 175.25

Atom Count: 24

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	175.066699837
Formal Charge	0
FSP3	0.86
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	PGSDSYPPZAPZCW-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.4
Topological Polar Surface Area	38.33
Polarizability	18.26
Ring Count	1
Rotatable Bond Count	3

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