ethyl 4-aminothiane-4-carboxylate

ethyl 4-aminothiane-4-carboxylate

CAS: 1248324-93-7

Formula: C8H15NO2S

SMILES: CCOC(=O)C1(N)CCSCC1

IUPAC: ethyl 4-aminothiane-4-carboxylate

InChI: InChI=1S/C8H15NO2S/c1-2-11-7(10)8(9)3-5-12-6-4-8/h2-6,9H2,1H3

Composition: C (50.77%), H (7.99%), N (7.40%), O (16.91%), S (16.94%)

Molar Mass: 189.27

Atom Count: 27

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	189.082349901
Formal Charge	0
FSP3	0.87
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	VJPXHHVSQUQQGL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.01
Topological Polar Surface Area	52.32
Polarizability	20.1
Ring Count	1
Rotatable Bond Count	3

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