1-trimethoxysilylpropane-1,1-dithiol

C6H16O3S2Si — CID 19012739

IUPAC1-trimethoxysilylpropane-1,1-dithiol
SMILESCCC(S)(S)[Si](OC)(OC)OC
InChIInChI=1S/C6H16O3S2Si/c1-5-6(10,11)12(7-2,8-3)9-4/h10-11H,5H2,1-4H3
InChIKeyAJIOKWJSHXFHTB-UHFFFAOYSA-N
MW228.41 g/mol
LogP1.37
Rot. Bonds5

About 1-trimethoxysilylpropane-1,1-dithiol

1-trimethoxysilylpropane-1,1-dithiol (PubChem CID 19012739) has the molecular formula C6H16O3S2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is 1-trimethoxysilylpropane-1,1-dithiol.

Molecular Properties

Compound Name1-trimethoxysilylpropane-1,1-dithiol
PubChem CID19012739
Molecular FormulaC6H16O3S2Si
Molecular Weight228.41 g/mol
Exact Mass228.03
IUPAC Name1-trimethoxysilylpropane-1,1-dithiol
SMILESCCC(S)(S)[Si](OC)(OC)OC
InChIInChI=1S/C6H16O3S2Si/c1-5-6(10,11)12(7-2,8-3)9-4/h10-11H,5H2,1-4H3
InChIKeyAJIOKWJSHXFHTB-UHFFFAOYSA-N
XLogP1.37
TPSA27.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-fluoro-1-trimethoxysilylpropane-1-thiol
CID 88708282
3-trimethoxysilylheptane-3-thiol
CID 175119323
(3-ethyl-2,3-dimethylpentan-2-yl)-trimethoxysilane
CID 18696437
(3-ethyl-2-methylpentan-3-yl)-trimethoxysilane
CID 139910270
5,5,5-trifluoro-2-trimethoxysilylpentane-2-thiol
CID 87125331
2-amino-2-trimethoxysilylbutanoic acid
CID 150282177
4-trimethoxysilylhexane-1,4-diamine
CID 57134999
(1S)-1-methoxy-1-sulfanylpropan-1-ol
CID 124639620
3-ethylpentan-3-yl-methoxy-dimethylsilane
CID 54356799
tert-butyl-dimethoxy-propoxysilane
CID 139714542
2-methyl-2-trimethoxysilylpentan-3-amine
CID 87850746
1,1-dimethoxypropoxy-dimethoxy-methylsilane
CID 141288750

Frequently Asked Questions

What is the IUPAC name of 1-trimethoxysilylpropane-1,1-dithiol?
The IUPAC name of 1-trimethoxysilylpropane-1,1-dithiol (CID 19012739) is 1-trimethoxysilylpropane-1,1-dithiol.
What is the SMILES notation for 1-trimethoxysilylpropane-1,1-dithiol?
The canonical SMILES for 1-trimethoxysilylpropane-1,1-dithiol is CCC(S)(S)[Si](OC)(OC)OC.
What is the InChIKey of 1-trimethoxysilylpropane-1,1-dithiol?
The InChIKey is AJIOKWJSHXFHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O3S2Si/c1-5-6(10,11)12(7-2,8-3)9-4/h10-11H,5H2,1-4H3.
What are the key properties of 1-trimethoxysilylpropane-1,1-dithiol?
1-trimethoxysilylpropane-1,1-dithiol has a molecular weight of 228.41 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethoxysilylpropane-1,1-dithiol is sourced from PubChem (CID 19012739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).