O-methyl 2-diethoxysilylethanethioate

C7H16O3SSi — CID 123844799

IUPACO-methyl 2-diethoxysilylethanethioate
SMILESCCO[SiH](CC(=S)OC)OCC
InChIInChI=1S/C7H16O3SSi/c1-4-9-12(10-5-2)6-7(11)8-3/h12H,4-6H2,1-3H3
InChIKeyRQUSAXNQJICMKS-UHFFFAOYSA-N
MW208.35 g/mol
LogP1.25
Rot. Bonds6

About O-methyl 2-diethoxysilylethanethioate

O-methyl 2-diethoxysilylethanethioate (PubChem CID 123844799) has the molecular formula C7H16O3SSi and a molecular weight of 208.35 g/mol. Its IUPAC name is O-methyl 2-diethoxysilylethanethioate.

Molecular Properties

Compound NameO-methyl 2-diethoxysilylethanethioate
PubChem CID123844799
Molecular FormulaC7H16O3SSi
Molecular Weight208.35 g/mol
Exact Mass208.06
IUPAC NameO-methyl 2-diethoxysilylethanethioate
SMILESCCO[SiH](CC(=S)OC)OCC
InChIInChI=1S/C7H16O3SSi/c1-4-9-12(10-5-2)6-7(11)8-3/h12H,4-6H2,1-3H3
InChIKeyRQUSAXNQJICMKS-UHFFFAOYSA-N
XLogP1.25
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diethoxy(ethyl)silane;hydrochloride
CID 172697109
1-diethoxysilylpent-3-en-2-one
CID 173375801
O-methyl 2-(2-methoxy-2-sulfanylideneethoxy)ethanethioate
CID 139975522
O-methyl 2-aminoethanethioate
CID 140974503
1-[ethoxy(methoxy)silyl]-3-methylbut-3-en-2-one
CID 123381217
3-diethoxysilylpropyl(dimethoxy)silane
CID 59537920
9-diethoxysilylnonyl(diethoxy)silane
CID 123249376
ethoxy(dihydroxy)silane
CID 123755405
diethoxy(hydroxy)silane
CID 101059867
diethoxy-[(E)-2-methyl-3-phenylprop-2-enyl]silane
CID 173472570
N-methylmethanamine;triethoxysilane
CID 173126402
O-methyl 3-hydroxybutanethioate
CID 87475263

Frequently Asked Questions

What is the IUPAC name of O-methyl 2-diethoxysilylethanethioate?
The IUPAC name of O-methyl 2-diethoxysilylethanethioate (CID 123844799) is O-methyl 2-diethoxysilylethanethioate.
What is the SMILES notation for O-methyl 2-diethoxysilylethanethioate?
The canonical SMILES for O-methyl 2-diethoxysilylethanethioate is CCO[SiH](CC(=S)OC)OCC.
What is the InChIKey of O-methyl 2-diethoxysilylethanethioate?
The InChIKey is RQUSAXNQJICMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3SSi/c1-4-9-12(10-5-2)6-7(11)8-3/h12H,4-6H2,1-3H3.
What are the key properties of O-methyl 2-diethoxysilylethanethioate?
O-methyl 2-diethoxysilylethanethioate has a molecular weight of 208.35 g/mol, XLogP of 1.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-methyl 2-diethoxysilylethanethioate is sourced from PubChem (CID 123844799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).