O-trimethylsilyl 4-[bis(trimethylsilyl)amino]butanethioate

C13H33NOSSi3 — CID 87248780

IUPACO-trimethylsilyl 4-[bis(trimethylsilyl)amino]butanethioate
SMILESC[Si](C)(C)OC(=S)CCCN([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C13H33NOSSi3/c1-17(2,3)14(18(4,5)6)12-10-11-13(16)15-19(7,8)9/h10-12H2,1-9H3
InChIKeyAJRZWEAKDIEVAT-UHFFFAOYSA-N
MW335.74 g/mol
LogP4.92
Rot. Bonds7

About O-trimethylsilyl 4-[bis(trimethylsilyl)amino]butanethioate

O-trimethylsilyl 4-[bis(trimethylsilyl)amino]butanethioate (PubChem CID 87248780) has the molecular formula C13H33NOSSi3 and a molecular weight of 335.74 g/mol. Its IUPAC name is O-trimethylsilyl 4-[bis(trimethylsilyl)amino]butanethioate.

Molecular Properties

Compound NameO-trimethylsilyl 4-[bis(trimethylsilyl)amino]butanethioate
PubChem CID87248780
Molecular FormulaC13H33NOSSi3
Molecular Weight335.74 g/mol
Exact Mass335.16
IUPAC NameO-trimethylsilyl 4-[bis(trimethylsilyl)amino]butanethioate
SMILESC[Si](C)(C)OC(=S)CCCN([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C13H33NOSSi3/c1-17(2,3)14(18(4,5)6)12-10-11-13(16)15-19(7,8)9/h10-12H2,1-9H3
InChIKeyAJRZWEAKDIEVAT-UHFFFAOYSA-N
XLogP4.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.74
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of O-trimethylsilyl 4-[bis(trimethylsilyl)amino]butanethioate?
The IUPAC name of O-trimethylsilyl 4-[bis(trimethylsilyl)amino]butanethioate (CID 87248780) is O-trimethylsilyl 4-[bis(trimethylsilyl)amino]butanethioate.
What is the SMILES notation for O-trimethylsilyl 4-[bis(trimethylsilyl)amino]butanethioate?
The canonical SMILES for O-trimethylsilyl 4-[bis(trimethylsilyl)amino]butanethioate is C[Si](C)(C)OC(=S)CCCN([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of O-trimethylsilyl 4-[bis(trimethylsilyl)amino]butanethioate?
The InChIKey is AJRZWEAKDIEVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H33NOSSi3/c1-17(2,3)14(18(4,5)6)12-10-11-13(16)15-19(7,8)9/h10-12H2,1-9H3.
What are the key properties of O-trimethylsilyl 4-[bis(trimethylsilyl)amino]butanethioate?
O-trimethylsilyl 4-[bis(trimethylsilyl)amino]butanethioate has a molecular weight of 335.74 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-trimethylsilyl 4-[bis(trimethylsilyl)amino]butanethioate is sourced from PubChem (CID 87248780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).