3-[methoxy-(3-sulfanylpropyl)-(trimethoxymethoxy)silyl]oxypropane-1-thiol

C11H26O6S2Si — CID 87169465

IUPAC3-[methoxy-(3-sulfanylpropyl)-(trimethoxymethoxy)silyl]oxypropane-1-thiol
SMILESCOC(OC)(OC)O[Si](CCCS)(OC)OCCCS
InChIInChI=1S/C11H26O6S2Si/c1-12-11(13-2,14-3)17-20(15-4,10-6-9-19)16-7-5-8-18/h18-19H,5-10H2,1-4H3
InChIKeyLKFHSNXWBPSCKI-UHFFFAOYSA-N
MW346.54 g/mol
LogP1.80
Rot. Bonds13

About 3-[methoxy-(3-sulfanylpropyl)-(trimethoxymethoxy)silyl]oxypropane-1-thiol

3-[methoxy-(3-sulfanylpropyl)-(trimethoxymethoxy)silyl]oxypropane-1-thiol (PubChem CID 87169465) has the molecular formula C11H26O6S2Si and a molecular weight of 346.54 g/mol. Its IUPAC name is 3-[methoxy-(3-sulfanylpropyl)-(trimethoxymethoxy)silyl]oxypropane-1-thiol.

Molecular Properties

Compound Name3-[methoxy-(3-sulfanylpropyl)-(trimethoxymethoxy)silyl]oxypropane-1-thiol
PubChem CID87169465
Molecular FormulaC11H26O6S2Si
Molecular Weight346.54 g/mol
Exact Mass346.09
IUPAC Name3-[methoxy-(3-sulfanylpropyl)-(trimethoxymethoxy)silyl]oxypropane-1-thiol
SMILESCOC(OC)(OC)O[Si](CCCS)(OC)OCCCS
InChIInChI=1S/C11H26O6S2Si/c1-12-11(13-2,14-3)17-20(15-4,10-6-9-19)16-7-5-8-18/h18-19H,5-10H2,1-4H3
InChIKeyLKFHSNXWBPSCKI-UHFFFAOYSA-N
XLogP1.80
TPSA55.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[Tris(1-methoxyethoxy)silyl]propane-1-thiol
CID 19836222
3-[Tris(1-methoxyethoxy)silyl]propane-1-thiol
CID 20278155
1-(1-Triethoxysilylpropoxy)propane-1-thiol
CID 21425882
4-[Tris(1-methoxyethoxy)silyl]butane-2-thiol
CID 22156050
1-Triethoxysilylpropane-1,3-dithiol
CID 22227190
3-Tripropoxysilylpropane-1,2-dithiol
CID 22227193
3-Triethoxysilylpropane-1,2-dithiol
CID 22227239
1-Tripropoxysilylpropane-1,3-dithiol
CID 22227249
O-ethyl (3-trimethoxysilylpropyldisulfanyl)methanethioate
CID 23452853
1-Propoxy-3-triethoxysilylpropane-1-thiol
CID 53853995
1-(3-Trimethoxysilylpropoxy)propane-2-thiol
CID 57070407
3-(3-Triethoxysilylpropoxy)propane-1-thiol
CID 57285701

Frequently Asked Questions

What is the IUPAC name of 3-[methoxy-(3-sulfanylpropyl)-(trimethoxymethoxy)silyl]oxypropane-1-thiol?
The IUPAC name of 3-[methoxy-(3-sulfanylpropyl)-(trimethoxymethoxy)silyl]oxypropane-1-thiol (CID 87169465) is 3-[methoxy-(3-sulfanylpropyl)-(trimethoxymethoxy)silyl]oxypropane-1-thiol.
What is the SMILES notation for 3-[methoxy-(3-sulfanylpropyl)-(trimethoxymethoxy)silyl]oxypropane-1-thiol?
The canonical SMILES for 3-[methoxy-(3-sulfanylpropyl)-(trimethoxymethoxy)silyl]oxypropane-1-thiol is COC(OC)(OC)O[Si](CCCS)(OC)OCCCS.
What is the InChIKey of 3-[methoxy-(3-sulfanylpropyl)-(trimethoxymethoxy)silyl]oxypropane-1-thiol?
The InChIKey is LKFHSNXWBPSCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26O6S2Si/c1-12-11(13-2,14-3)17-20(15-4,10-6-9-19)16-7-5-8-18/h18-19H,5-10H2,1-4H3.
What are the key properties of 3-[methoxy-(3-sulfanylpropyl)-(trimethoxymethoxy)silyl]oxypropane-1-thiol?
3-[methoxy-(3-sulfanylpropyl)-(trimethoxymethoxy)silyl]oxypropane-1-thiol has a molecular weight of 346.54 g/mol, XLogP of 1.80, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy-(3-sulfanylpropyl)-(trimethoxymethoxy)silyl]oxypropane-1-thiol is sourced from PubChem (CID 87169465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).