1-silylsulfonyloxy-3-sulfanylpropane

C3H10O3S2Si — CID 175054510

IUPAC1-silylsulfonyloxy-3-sulfanylpropane
SMILESO=S(=O)([SiH3])OCCCS
InChIInChI=1S/C3H10O3S2Si/c4-8(5,9)6-2-1-3-7/h7H,1-3H2,9H3
InChIKeyKPMQLDFJKLKRSX-UHFFFAOYSA-N
MW186.33 g/mol
LogP-1.07
Rot. Bonds4

About 1-silylsulfonyloxy-3-sulfanylpropane

1-silylsulfonyloxy-3-sulfanylpropane (PubChem CID 175054510) has the molecular formula C3H10O3S2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is 1-silylsulfonyloxy-3-sulfanylpropane.

Molecular Properties

Compound Name1-silylsulfonyloxy-3-sulfanylpropane
PubChem CID175054510
Molecular FormulaC3H10O3S2Si
Molecular Weight186.33 g/mol
Exact Mass185.98
IUPAC Name1-silylsulfonyloxy-3-sulfanylpropane
SMILESO=S(=O)([SiH3])OCCCS
InChIInChI=1S/C3H10O3S2Si/c4-8(5,9)6-2-1-3-7/h7H,1-3H2,9H3
InChIKeyKPMQLDFJKLKRSX-UHFFFAOYSA-N
XLogP-1.07
TPSA43.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(11-sulfanylundecyl) sulfate
CID 87552844
12-sulfanyldodecyl hydrogen sulfate
CID 118452917
3-[2-(3-sulfanylpropylperoxy)ethylperoxy]propane-1-thiol
CID 21337103
dodecyl 2-sulfanylethyl sulfate
CID 88509684
3-(2-sulfanylethoxy)propane-1-thiol
CID 56989833
1-(2-chlorosulfonyloxyethoxy)-11-sulfanylundecane
CID 59422648
7-sulfanylheptane-1-sulfonamide
CID 10353110
cobalt(2+);oxido-(6-oxidosulfonothioyloxyhexoxy)-oxo-sulfanylidene-λ6-sulfane
CID 86740778
methyl 2-sulfanylethyl sulfate
CID 58758404
chromium;4-methylsulfonyloxybutyl methanesulfonate
CID 174784786
3-ethylsulfonyloxypropyl ethanesulfonate
CID 87127972
bis(3-sulfanylpropyl) hexanedioate
CID 57182760

Frequently Asked Questions

What is the IUPAC name of 1-silylsulfonyloxy-3-sulfanylpropane?
The IUPAC name of 1-silylsulfonyloxy-3-sulfanylpropane (CID 175054510) is 1-silylsulfonyloxy-3-sulfanylpropane.
What is the SMILES notation for 1-silylsulfonyloxy-3-sulfanylpropane?
The canonical SMILES for 1-silylsulfonyloxy-3-sulfanylpropane is O=S(=O)([SiH3])OCCCS.
What is the InChIKey of 1-silylsulfonyloxy-3-sulfanylpropane?
The InChIKey is KPMQLDFJKLKRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10O3S2Si/c4-8(5,9)6-2-1-3-7/h7H,1-3H2,9H3.
What are the key properties of 1-silylsulfonyloxy-3-sulfanylpropane?
1-silylsulfonyloxy-3-sulfanylpropane has a molecular weight of 186.33 g/mol, XLogP of -1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-silylsulfonyloxy-3-sulfanylpropane is sourced from PubChem (CID 175054510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).