1-sulfanylsilyl-3-trimethoxysilylpropane-1-thiol

C6H18O3S2Si2 — CID 123845237

IUPAC1-sulfanylsilyl-3-trimethoxysilylpropane-1-thiol
SMILESCO[Si](CCC(S)[SiH2]S)(OC)OC
InChIInChI=1S/C6H18O3S2Si2/c1-7-13(8-2,9-3)5-4-6(10)12-11/h6,10-11H,4-5,12H2,1-3H3
InChIKeyPANVBSGVKHOQGF-UHFFFAOYSA-N
MW258.51 g/mol
LogP0.52
Rot. Bonds7

About 1-sulfanylsilyl-3-trimethoxysilylpropane-1-thiol

1-sulfanylsilyl-3-trimethoxysilylpropane-1-thiol (PubChem CID 123845237) has the molecular formula C6H18O3S2Si2 and a molecular weight of 258.51 g/mol. Its IUPAC name is 1-sulfanylsilyl-3-trimethoxysilylpropane-1-thiol.

Molecular Properties

Compound Name1-sulfanylsilyl-3-trimethoxysilylpropane-1-thiol
PubChem CID123845237
Molecular FormulaC6H18O3S2Si2
Molecular Weight258.51 g/mol
Exact Mass258.02
IUPAC Name1-sulfanylsilyl-3-trimethoxysilylpropane-1-thiol
SMILESCO[Si](CCC(S)[SiH2]S)(OC)OC
InChIInChI=1S/C6H18O3S2Si2/c1-7-13(8-2,9-3)5-4-6(10)12-11/h6,10-11H,4-5,12H2,1-3H3
InChIKeyPANVBSGVKHOQGF-UHFFFAOYSA-N
XLogP0.52
TPSA27.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.51
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1-sulfanyl-3-trimethoxysilylpropan-1-ol
CID 139948392
1,5-bis(trimethoxysilyl)pentan-3-ol
CID 142667270
1,5-bis(trimethoxysilyl)pentan-3-amine
CID 87668176
4-[diethoxy(methoxy)silyl]butane-2-thiol
CID 22227180
3-methyl-4-trimethoxysilylbutane-1-thiol
CID 140918157
4-trimethoxysilylbutan-2-ol
CID 19880936
trimethoxy(4-methylheptyl)silane
CID 23534240
hexane;3-trimethoxysilylpropane-1,1-diamine
CID 174757276
3-sulfanyl-6-trimethoxysilylhexanoic acid
CID 142550334
1,8-bis(trimethoxysilyl)octane-4,5-diamine
CID 57029504
3-methyl-6-trimethoxysilylhexane-1,4-diamine
CID 175289204
trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726

Frequently Asked Questions

What is the IUPAC name of 1-sulfanylsilyl-3-trimethoxysilylpropane-1-thiol?
The IUPAC name of 1-sulfanylsilyl-3-trimethoxysilylpropane-1-thiol (CID 123845237) is 1-sulfanylsilyl-3-trimethoxysilylpropane-1-thiol.
What is the SMILES notation for 1-sulfanylsilyl-3-trimethoxysilylpropane-1-thiol?
The canonical SMILES for 1-sulfanylsilyl-3-trimethoxysilylpropane-1-thiol is CO[Si](CCC(S)[SiH2]S)(OC)OC.
What is the InChIKey of 1-sulfanylsilyl-3-trimethoxysilylpropane-1-thiol?
The InChIKey is PANVBSGVKHOQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18O3S2Si2/c1-7-13(8-2,9-3)5-4-6(10)12-11/h6,10-11H,4-5,12H2,1-3H3.
What are the key properties of 1-sulfanylsilyl-3-trimethoxysilylpropane-1-thiol?
1-sulfanylsilyl-3-trimethoxysilylpropane-1-thiol has a molecular weight of 258.51 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfanylsilyl-3-trimethoxysilylpropane-1-thiol is sourced from PubChem (CID 123845237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).