3-trimethoxysilylpropylsulfanylmethanedithioic acid

C7H16O3S3Si — CID 87557945

IUPAC3-trimethoxysilylpropylsulfanylmethanedithioic acid
SMILESCO[Si](CCCSC(=S)S)(OC)OC
InChIInChI=1S/C7H16O3S3Si/c1-8-14(9-2,10-3)6-4-5-13-7(11)12/h4-6H2,1-3H3,(H,11,12)
InChIKeyUDSCFLPTUPPQFZ-UHFFFAOYSA-N
MW272.49 g/mol
LogP2.20
Rot. Bonds7

About 3-trimethoxysilylpropylsulfanylmethanedithioic acid

3-trimethoxysilylpropylsulfanylmethanedithioic acid (PubChem CID 87557945) has the molecular formula C7H16O3S3Si and a molecular weight of 272.49 g/mol. Its IUPAC name is 3-trimethoxysilylpropylsulfanylmethanedithioic acid.

Molecular Properties

Compound Name3-trimethoxysilylpropylsulfanylmethanedithioic acid
PubChem CID87557945
Molecular FormulaC7H16O3S3Si
Molecular Weight272.49 g/mol
Exact Mass272.00
IUPAC Name3-trimethoxysilylpropylsulfanylmethanedithioic acid
SMILESCO[Si](CCCSC(=S)S)(OC)OC
InChIInChI=1S/C7H16O3S3Si/c1-8-14(9-2,10-3)6-4-5-13-7(11)12/h4-6H2,1-3H3,(H,11,12)
InChIKeyUDSCFLPTUPPQFZ-UHFFFAOYSA-N
XLogP2.20
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.49
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[amino(3-trimethoxysilylpropylsulfanyl)methylidene]azanium
CID 101376195
3-trimethoxysilylpropylcarbamodithioic acid
CID 14513088
S-(3-trimethoxysilylpropyl) butanethioate
CID 86045035
trimethoxy(3-silylsulfanylpropyl)silane
CID 123801748
sodium dodecylsulfanylmethanedithioic acid
CID 54607026
3-(butyldisulfanyl)propyl-trimethoxysilane
CID 14765024
trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
1-(3-trimethoxysilylpropylsulfanyl)propan-2-ol
CID 20776575
trimethoxy-[12-(12-trimethoxysilyldodecyldisulfanyl)dodecyl]silane
CID 87873145
S-(3-trimethoxysilylpropyl) N-(3-triethoxysilylpropyl)carbamothioate
CID 58004922
S-(4-trimethoxysilylbutyl) hexadecanethioate
CID 175847888
10-trimethoxysilyldecanethioic S-acid
CID 87672120

Frequently Asked Questions

What is the IUPAC name of 3-trimethoxysilylpropylsulfanylmethanedithioic acid?
The IUPAC name of 3-trimethoxysilylpropylsulfanylmethanedithioic acid (CID 87557945) is 3-trimethoxysilylpropylsulfanylmethanedithioic acid.
What is the SMILES notation for 3-trimethoxysilylpropylsulfanylmethanedithioic acid?
The canonical SMILES for 3-trimethoxysilylpropylsulfanylmethanedithioic acid is CO[Si](CCCSC(=S)S)(OC)OC.
What is the InChIKey of 3-trimethoxysilylpropylsulfanylmethanedithioic acid?
The InChIKey is UDSCFLPTUPPQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3S3Si/c1-8-14(9-2,10-3)6-4-5-13-7(11)12/h4-6H2,1-3H3,(H,11,12).
What are the key properties of 3-trimethoxysilylpropylsulfanylmethanedithioic acid?
3-trimethoxysilylpropylsulfanylmethanedithioic acid has a molecular weight of 272.49 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethoxysilylpropylsulfanylmethanedithioic acid is sourced from PubChem (CID 87557945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).