1-triethoxysilylpropyl thiohypochlorite

C9H21ClO3SSi — CID 175012038

IUPAC1-triethoxysilylpropyl thiohypochlorite
SMILESCCO[Si](OCC)(OCC)C(CC)SCl
InChIInChI=1S/C9H21ClO3SSi/c1-5-9(14-10)15(11-6-2,12-7-3)13-8-4/h9H,5-8H2,1-4H3
InChIKeyQOGMFOPXYCBKEP-UHFFFAOYSA-N
MW272.87 g/mol
LogP3.24
Rot. Bonds9

About 1-triethoxysilylpropyl thiohypochlorite

1-triethoxysilylpropyl thiohypochlorite (PubChem CID 175012038) has the molecular formula C9H21ClO3SSi and a molecular weight of 272.87 g/mol. Its IUPAC name is 1-triethoxysilylpropyl thiohypochlorite.

Molecular Properties

Compound Name1-triethoxysilylpropyl thiohypochlorite
PubChem CID175012038
Molecular FormulaC9H21ClO3SSi
Molecular Weight272.87 g/mol
Exact Mass272.07
IUPAC Name1-triethoxysilylpropyl thiohypochlorite
SMILESCCO[Si](OCC)(OCC)C(CC)SCl
InChIInChI=1S/C9H21ClO3SSi/c1-5-9(14-10)15(11-6-2,12-7-3)13-8-4/h9H,5-8H2,1-4H3
InChIKeyQOGMFOPXYCBKEP-UHFFFAOYSA-N
XLogP3.24
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.87
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

triethoxy-[1-(trisulfanyl)propyl]silane
CID 18355895
N-chloro-1-triethoxysilylpropan-1-amine
CID 175004161
1-chloropropyl(triethoxy)silane;ethanol
CID 174653765
ethoxy-[1-[1-(ethoxy-methoxy-propoxysilyl)propyltrisulfanyl]propyl]-methoxy-propoxysilane
CID 54501900
lithium;[bis(triethoxysilyl)methylsulfanyl-triethoxysilylmethyl]-triethoxysilane;hydride
CID 173214345
triethoxy-[1,3,3-tris(triethoxysilyl)propyl]silane
CID 22222937
[1-[1,2-bis(triethoxysilyl)propyltetrasulfanyl]-1-triethoxysilylpropan-2-yl]-triethoxysilane
CID 102409474
silane;triethoxy(1-methoxypropyl)silane
CID 175591371
triethoxy-[1-(1-triethoxysilyldodecylheptasulfanyl)dodecyl]silane
CID 54431230
2-chloro-N-(1-triethoxysilylpropyl)acetamide
CID 18353899
triethoxy(5-methylhexan-3-yl)silane
CID 175575145
chloromethyl-(chloromethyl-ethenyl-ethoxysilyl)oxy-ethenyl-ethoxysilane
CID 91748228

Frequently Asked Questions

What is the IUPAC name of 1-triethoxysilylpropyl thiohypochlorite?
The IUPAC name of 1-triethoxysilylpropyl thiohypochlorite (CID 175012038) is 1-triethoxysilylpropyl thiohypochlorite.
What is the SMILES notation for 1-triethoxysilylpropyl thiohypochlorite?
The canonical SMILES for 1-triethoxysilylpropyl thiohypochlorite is CCO[Si](OCC)(OCC)C(CC)SCl.
What is the InChIKey of 1-triethoxysilylpropyl thiohypochlorite?
The InChIKey is QOGMFOPXYCBKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21ClO3SSi/c1-5-9(14-10)15(11-6-2,12-7-3)13-8-4/h9H,5-8H2,1-4H3.
What are the key properties of 1-triethoxysilylpropyl thiohypochlorite?
1-triethoxysilylpropyl thiohypochlorite has a molecular weight of 272.87 g/mol, XLogP of 3.24, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-triethoxysilylpropyl thiohypochlorite is sourced from PubChem (CID 175012038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).