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3-{2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl}propane-1-thiol

3-{2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl}propane-1-thiol

CAS: 29909-46-4

Formula: C9H19NO3SSi

SMILES: SCCC[Si]12OCCN(CCO1)CCO2

IUPAC: 3-{2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl}propane-1-thiol

InChI: InChI=1S/C9H19NO3SSi/c14-8-1-9-15-11-5-2-10(3-6-12-15)4-7-13-15/h14H,1-9H2

Composition: C (43.34%), H (7.68%), N (5.62%), O (19.24%), S (12.85%), Si (11.26%)

Molar Mass: 249.4

Atom Count: 34

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 249.085491185
Formal Charge 0
FSP3 1
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey VAMRSLPZSVGKAC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.86
Topological Polar Surface Area 30.93
Polarizability 25.49
Ring Count 2
Rotatable Bond Count 3

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