tert-butyl 3-(2-{2-[(2-azidoethyl)disulfanyl]ethoxy}ethoxy)propanoate

tert-butyl 3-(2-{2-[(2-azidoethyl)disulfanyl]ethoxy}ethoxy)propanoate

CAS: 2144777-83-1

Formula: C13H25N3O4S2

SMILES: CC(C)(C)OC(=O)CCOCCOCCSSCCN=[N+]=[N-]

IUPAC: tert-butyl 3-(2-{2-[(2-azidoethyl)disulfanyl]ethoxy}ethoxy)propanoate

InChI: InChI=1S/C13H25N3O4S2/c1-13(2,3)20-12(17)4-6-18-7-8-19-9-11-22-21-10-5-15-16-14/h4-11H2,1-3H3

Composition: C (44.42%), H (7.17%), N (11.96%), O (18.21%), S (18.24%)

Molar Mass: 351.48

Atom Count: 47

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	351.128648645
Formal Charge	0
FSP3	0.92
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	HWZBIMRMCUSFIG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	91.34
Topological Polar Surface Area	74.19
Polarizability	35.33
Ring Count	0
Rotatable Bond Count	15

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