3-sulfanylpropanoic acid;3-trimethoxysilylpropane-1-thiol

C9H22O5S2Si — CID 88693959

IUPAC3-sulfanylpropanoic acid;3-trimethoxysilylpropane-1-thiol
SMILESCO[Si](CCCS)(OC)OC.O=C(O)CCS
InChIInChI=1S/C6H16O3SSi.C3H6O2S/c1-7-11(8-2,9-3)6-4-5-10;4-3(5)1-2-6/h10H,4-6H2,1-3H3;6H,1-2H2,(H,4,5)
InChIKeyQBKQWPJTVSURSK-UHFFFAOYSA-N
MW302.49 g/mol
LogP1.58
Rot. Bonds8

About 3-sulfanylpropanoic acid;3-trimethoxysilylpropane-1-thiol

3-sulfanylpropanoic acid;3-trimethoxysilylpropane-1-thiol (PubChem CID 88693959) has the molecular formula C9H22O5S2Si and a molecular weight of 302.49 g/mol. Its IUPAC name is 3-sulfanylpropanoic acid;3-trimethoxysilylpropane-1-thiol.

Molecular Properties

Compound Name3-sulfanylpropanoic acid;3-trimethoxysilylpropane-1-thiol
PubChem CID88693959
Molecular FormulaC9H22O5S2Si
Molecular Weight302.49 g/mol
Exact Mass302.07
IUPAC Name3-sulfanylpropanoic acid;3-trimethoxysilylpropane-1-thiol
SMILESCO[Si](CCCS)(OC)OC.O=C(O)CCS
InChIInChI=1S/C6H16O3SSi.C3H6O2S/c1-7-11(8-2,9-3)6-4-5-10;4-3(5)1-2-6/h10H,4-6H2,1-3H3;6H,1-2H2,(H,4,5)
InChIKeyQBKQWPJTVSURSK-UHFFFAOYSA-N
XLogP1.58
TPSA64.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

hydron;3-trimethoxysilylpropane-1-thiol
CID 174944178
silane;3-trimethoxysilylpropane-1-thiol
CID 157336747
methoxysilane;3-trimethoxysilylpropane-1-thiol
CID 159282463
6-trimethoxysilylhexan-3-one
CID 154355591
2,2-dideuterio-4-trimethoxysilylbutanoic acid
CID 175956620
3-(5-trimethoxysilylpentylamino)propanoic acid
CID 150405129
3-(10-trimethoxysilyldecylamino)propanoic acid
CID 151748787
manganese;3-sulfanylpropanoic acid;zinc
CID 161292354
10-trimethoxysilyldecanethioic S-acid
CID 87672120
3-sulfanyl-6-trimethoxysilylhexanoic acid
CID 142550334
3-[propyl(3-trimethoxysilylpropyl)amino]propanoic acid
CID 151472451
gold;4-sulfanylbutanoic acid
CID 146171695

Frequently Asked Questions

What is the IUPAC name of 3-sulfanylpropanoic acid;3-trimethoxysilylpropane-1-thiol?
The IUPAC name of 3-sulfanylpropanoic acid;3-trimethoxysilylpropane-1-thiol (CID 88693959) is 3-sulfanylpropanoic acid;3-trimethoxysilylpropane-1-thiol.
What is the SMILES notation for 3-sulfanylpropanoic acid;3-trimethoxysilylpropane-1-thiol?
The canonical SMILES for 3-sulfanylpropanoic acid;3-trimethoxysilylpropane-1-thiol is CO[Si](CCCS)(OC)OC.O=C(O)CCS.
What is the InChIKey of 3-sulfanylpropanoic acid;3-trimethoxysilylpropane-1-thiol?
The InChIKey is QBKQWPJTVSURSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O3SSi.C3H6O2S/c1-7-11(8-2,9-3)6-4-5-10;4-3(5)1-2-6/h10H,4-6H2,1-3H3;6H,1-2H2,(H,4,5).
What are the key properties of 3-sulfanylpropanoic acid;3-trimethoxysilylpropane-1-thiol?
3-sulfanylpropanoic acid;3-trimethoxysilylpropane-1-thiol has a molecular weight of 302.49 g/mol, XLogP of 1.58, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfanylpropanoic acid;3-trimethoxysilylpropane-1-thiol is sourced from PubChem (CID 88693959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).