3-trimethoxysilylpropane-1,1,1-trithiol

C6H16O3S3Si — CID 142701201

IUPAC3-trimethoxysilylpropane-1,1,1-trithiol
SMILESCO[Si](CCC(S)(S)S)(OC)OC
InChIInChI=1S/C6H16O3S3Si/c1-7-13(8-2,9-3)5-4-6(10,11)12/h10-12H,4-5H2,1-3H3
InChIKeyVAFOCDJZCHSOHJ-UHFFFAOYSA-N
MW260.48 g/mol
LogP1.70
Rot. Bonds6

About 3-trimethoxysilylpropane-1,1,1-trithiol

3-trimethoxysilylpropane-1,1,1-trithiol (PubChem CID 142701201) has the molecular formula C6H16O3S3Si and a molecular weight of 260.48 g/mol. Its IUPAC name is 3-trimethoxysilylpropane-1,1,1-trithiol.

Molecular Properties

Compound Name3-trimethoxysilylpropane-1,1,1-trithiol
PubChem CID142701201
Molecular FormulaC6H16O3S3Si
Molecular Weight260.48 g/mol
Exact Mass260.00
IUPAC Name3-trimethoxysilylpropane-1,1,1-trithiol
SMILESCO[Si](CCC(S)(S)S)(OC)OC
InChIInChI=1S/C6H16O3S3Si/c1-7-13(8-2,9-3)5-4-6(10,11)12/h10-12H,4-5H2,1-3H3
InChIKeyVAFOCDJZCHSOHJ-UHFFFAOYSA-N
XLogP1.70
TPSA27.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.48
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1,1-dimethoxy-3-trimethoxysilylpropan-1-amine
CID 21018728
trimethoxy(3,3,3-triisocyanatopropyl)silane
CID 175826425
3-ethyl-1-trimethoxysilylpentan-3-amine
CID 21018739
trimethoxy(trimethoxysilylmethylselanylmethyl)silane
CID 14507866
trimethoxy-[2-(2-trimethoxysilylethyldisulfanyl)ethyl]silane
CID 23263588
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-hentriacontafluoroheptadecyl(trimethoxy)silane
CID 175694492
(3-butyl-3-fluoroheptyl)-trimethoxysilane
CID 58825593
3-(trimethoxysilyl) propyl silane
CID 87973427
trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
2-cyclopentylethyl(trimethoxy)silane
CID 22412540
7,7-dimethyloctyl(trimethoxy)silane
CID 140817013
2-(2-trimethoxysilylethylsulfanyl)ethanethiol
CID 57057435

Frequently Asked Questions

What is the IUPAC name of 3-trimethoxysilylpropane-1,1,1-trithiol?
The IUPAC name of 3-trimethoxysilylpropane-1,1,1-trithiol (CID 142701201) is 3-trimethoxysilylpropane-1,1,1-trithiol.
What is the SMILES notation for 3-trimethoxysilylpropane-1,1,1-trithiol?
The canonical SMILES for 3-trimethoxysilylpropane-1,1,1-trithiol is CO[Si](CCC(S)(S)S)(OC)OC.
What is the InChIKey of 3-trimethoxysilylpropane-1,1,1-trithiol?
The InChIKey is VAFOCDJZCHSOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O3S3Si/c1-7-13(8-2,9-3)5-4-6(10,11)12/h10-12H,4-5H2,1-3H3.
What are the key properties of 3-trimethoxysilylpropane-1,1,1-trithiol?
3-trimethoxysilylpropane-1,1,1-trithiol has a molecular weight of 260.48 g/mol, XLogP of 1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethoxysilylpropane-1,1,1-trithiol is sourced from PubChem (CID 142701201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).