3-methoxysilylpropane-1,1,1-trithiol

C4H12OS3Si — CID 123262087

IUPAC3-methoxysilylpropane-1,1,1-trithiol
SMILESCO[SiH2]CCC(S)(S)S
InChIInChI=1S/C4H12OS3Si/c1-5-9-3-2-4(6,7)8/h6-8H,2-3,9H2,1H3
InChIKeyKWMNRVIQTIFOJF-UHFFFAOYSA-N
MW200.43 g/mol
LogP0.97
Rot. Bonds4

About 3-methoxysilylpropane-1,1,1-trithiol

3-methoxysilylpropane-1,1,1-trithiol (PubChem CID 123262087) has the molecular formula C4H12OS3Si and a molecular weight of 200.43 g/mol. Its IUPAC name is 3-methoxysilylpropane-1,1,1-trithiol.

Molecular Properties

Compound Name3-methoxysilylpropane-1,1,1-trithiol
PubChem CID123262087
Molecular FormulaC4H12OS3Si
Molecular Weight200.43 g/mol
Exact Mass199.98
IUPAC Name3-methoxysilylpropane-1,1,1-trithiol
SMILESCO[SiH2]CCC(S)(S)S
InChIInChI=1S/C4H12OS3Si/c1-5-9-3-2-4(6,7)8/h6-8H,2-3,9H2,1H3
InChIKeyKWMNRVIQTIFOJF-UHFFFAOYSA-N
XLogP0.97
TPSA9.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.43
LogP ≤ 50.97
H-Bond Donors ≤ 53
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

methoxy(3,3,3-trifluoropropyl)silane
CID 123372538
methoxy(2-methoxysilylethyl)silane
CID 71401369
2-chloroethyl(methoxy)silane
CID 154337921
3-trimethoxysilylpropane-1,1,1-trithiol
CID 142701201
N-(2-methoxysilylethyl)prop-2-enamide
CID 123735107
N-(3-methoxysilylpropyl)propan-2-imine
CID 123573616
CID 173032058
CID 173032058
3-methoxysilyl-N-propylpropan-1-amine
CID 123623979
3,3,3-tris(methoxysilyl)propane-1-thiol
CID 123836993
methoxyethane;5-methoxysilylpentan-1-ol
CID 123973970
2-bromopropan-2-yl 4-methoxysilylbutanoate
CID 174147608
tert-butyl-(3-methoxysilylpropylsulfanyl)-dimethylsilane;methylperoxymethane
CID 159104117

Frequently Asked Questions

What is the IUPAC name of 3-methoxysilylpropane-1,1,1-trithiol?
The IUPAC name of 3-methoxysilylpropane-1,1,1-trithiol (CID 123262087) is 3-methoxysilylpropane-1,1,1-trithiol.
What is the SMILES notation for 3-methoxysilylpropane-1,1,1-trithiol?
The canonical SMILES for 3-methoxysilylpropane-1,1,1-trithiol is CO[SiH2]CCC(S)(S)S.
What is the InChIKey of 3-methoxysilylpropane-1,1,1-trithiol?
The InChIKey is KWMNRVIQTIFOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12OS3Si/c1-5-9-3-2-4(6,7)8/h6-8H,2-3,9H2,1H3.
What are the key properties of 3-methoxysilylpropane-1,1,1-trithiol?
3-methoxysilylpropane-1,1,1-trithiol has a molecular weight of 200.43 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxysilylpropane-1,1,1-trithiol is sourced from PubChem (CID 123262087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).