tert-butyl 1-imino-1-oxo-1??-thiomorpholine-4-carboxylate

tert-butyl 1-imino-1-oxo-1??-thiomorpholine-4-carboxylate

CAS: 1609964-38-6

Formula: C9H18N2O3S

SMILES: CC(C)(C)OC(=O)N1CCS(=N)(=O)CC1

IUPAC: tert-butyl 1-imino-1-oxo-1??-thiomorpholine-4-carboxylate

InChI: InChI=1S/C9H18N2O3S/c1-9(2,3)14-8(12)11-4-6-15(10,13)7-5-11/h10H,4-7H2,1-3H3

Composition: C (46.13%), H (7.74%), N (11.96%), O (20.48%), S (13.68%)

Molar Mass: 234.31

Atom Count: 33

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	234.103813622
Formal Charge	0
FSP3	0.89
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	YCOLCFXJGBOPGF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.41
Topological Polar Surface Area	70.46
Polarizability	23.38
Ring Count	1
Rotatable Bond Count	2

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