3-[[dimethoxy(3-sulfanylpropyl)silyl]oxy-dimethoxysilyl]propane-1-thiol

C10H26O5S2Si2 — CID 53424825

IUPAC3-[[dimethoxy(3-sulfanylpropyl)silyl]oxy-dimethoxysilyl]propane-1-thiol
SMILESCO[Si](CCCS)(OC)O[Si](CCCS)(OC)OC
InChIInChI=1S/C10H26O5S2Si2/c1-11-18(12-2,9-5-7-16)15-19(13-3,14-4)10-6-8-17/h16-17H,5-10H2,1-4H3
InChIKeyKKUKYGMQYBNPJI-UHFFFAOYSA-N
MW346.62 g/mol
LogP2.11
Rot. Bonds12

About 3-[[dimethoxy(3-sulfanylpropyl)silyl]oxy-dimethoxysilyl]propane-1-thiol

3-[[dimethoxy(3-sulfanylpropyl)silyl]oxy-dimethoxysilyl]propane-1-thiol (PubChem CID 53424825) has the molecular formula C10H26O5S2Si2 and a molecular weight of 346.62 g/mol. Its IUPAC name is 3-[[dimethoxy(3-sulfanylpropyl)silyl]oxy-dimethoxysilyl]propane-1-thiol.

Molecular Properties

Compound Name3-[[dimethoxy(3-sulfanylpropyl)silyl]oxy-dimethoxysilyl]propane-1-thiol
PubChem CID53424825
Molecular FormulaC10H26O5S2Si2
Molecular Weight346.62 g/mol
Exact Mass346.08
IUPAC Name3-[[dimethoxy(3-sulfanylpropyl)silyl]oxy-dimethoxysilyl]propane-1-thiol
SMILESCO[Si](CCCS)(OC)O[Si](CCCS)(OC)OC
InChIInChI=1S/C10H26O5S2Si2/c1-11-18(12-2,9-5-7-16)15-19(13-3,14-4)10-6-8-17/h16-17H,5-10H2,1-4H3
InChIKeyKKUKYGMQYBNPJI-UHFFFAOYSA-N
XLogP2.11
TPSA46.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.62
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[dimethoxy(3-sulfanylpropyl)silyl]oxy-dimethoxysilyl]propane-1-thiol?
The IUPAC name of 3-[[dimethoxy(3-sulfanylpropyl)silyl]oxy-dimethoxysilyl]propane-1-thiol (CID 53424825) is 3-[[dimethoxy(3-sulfanylpropyl)silyl]oxy-dimethoxysilyl]propane-1-thiol.
What is the SMILES notation for 3-[[dimethoxy(3-sulfanylpropyl)silyl]oxy-dimethoxysilyl]propane-1-thiol?
The canonical SMILES for 3-[[dimethoxy(3-sulfanylpropyl)silyl]oxy-dimethoxysilyl]propane-1-thiol is CO[Si](CCCS)(OC)O[Si](CCCS)(OC)OC.
What is the InChIKey of 3-[[dimethoxy(3-sulfanylpropyl)silyl]oxy-dimethoxysilyl]propane-1-thiol?
The InChIKey is KKUKYGMQYBNPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26O5S2Si2/c1-11-18(12-2,9-5-7-16)15-19(13-3,14-4)10-6-8-17/h16-17H,5-10H2,1-4H3.
What are the key properties of 3-[[dimethoxy(3-sulfanylpropyl)silyl]oxy-dimethoxysilyl]propane-1-thiol?
3-[[dimethoxy(3-sulfanylpropyl)silyl]oxy-dimethoxysilyl]propane-1-thiol has a molecular weight of 346.62 g/mol, XLogP of 2.11, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[dimethoxy(3-sulfanylpropyl)silyl]oxy-dimethoxysilyl]propane-1-thiol is sourced from PubChem (CID 53424825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).