3-methyl-4-trimethoxysilylbutane-1-thiol

C8H20O3SSi — CID 140918157

IUPAC3-methyl-4-trimethoxysilylbutane-1-thiol
SMILESCO[Si](CC(C)CCS)(OC)OC
InChIInChI=1S/C8H20O3SSi/c1-8(5-6-12)7-13(9-2,10-3)11-4/h8,12H,5-7H2,1-4H3
InChIKeyBMCCOGNWSFVCDI-UHFFFAOYSA-N
MW224.40 g/mol
LogP1.82
Rot. Bonds7

About 3-methyl-4-trimethoxysilylbutane-1-thiol

3-methyl-4-trimethoxysilylbutane-1-thiol (PubChem CID 140918157) has the molecular formula C8H20O3SSi and a molecular weight of 224.40 g/mol. Its IUPAC name is 3-methyl-4-trimethoxysilylbutane-1-thiol.

Molecular Properties

Compound Name3-methyl-4-trimethoxysilylbutane-1-thiol
PubChem CID140918157
Molecular FormulaC8H20O3SSi
Molecular Weight224.40 g/mol
Exact Mass224.09
IUPAC Name3-methyl-4-trimethoxysilylbutane-1-thiol
SMILESCO[Si](CC(C)CCS)(OC)OC
InChIInChI=1S/C8H20O3SSi/c1-8(5-6-12)7-13(9-2,10-3)11-4/h8,12H,5-7H2,1-4H3
InChIKeyBMCCOGNWSFVCDI-UHFFFAOYSA-N
XLogP1.82
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-[aminomethoxy(dimethoxy)silyl]-3-methylbutan-1-amine
CID 172796806
hydron;3-trimethoxysilylpropane-1-thiol
CID 174944178
silane;3-trimethoxysilylpropane-1-thiol
CID 157336747
3-(2-methyl-3-trimethoxysilylpropoxy)butan-1-amine
CID 154190244
N-(3-methyl-4-trimethoxysilylbutyl)aniline
CID 21024234
1-sulfanylsilyl-3-trimethoxysilylpropane-1-thiol
CID 123845237
4-trimethoxysilylbutan-2-ol
CID 19880936
trimethoxy(4-methylheptyl)silane
CID 23534240
1-sulfanyl-3-trimethoxysilylpropan-1-ol
CID 139948392
methoxysilane;3-trimethoxysilylpropane-1-thiol
CID 159282463
2,2-difluoroethyl(trimethoxy)silane
CID 87720096
3-[methoxy(dimethyl)silyl]-2-methylpropane-1-thiol
CID 22251041

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-trimethoxysilylbutane-1-thiol?
The IUPAC name of 3-methyl-4-trimethoxysilylbutane-1-thiol (CID 140918157) is 3-methyl-4-trimethoxysilylbutane-1-thiol.
What is the SMILES notation for 3-methyl-4-trimethoxysilylbutane-1-thiol?
The canonical SMILES for 3-methyl-4-trimethoxysilylbutane-1-thiol is CO[Si](CC(C)CCS)(OC)OC.
What is the InChIKey of 3-methyl-4-trimethoxysilylbutane-1-thiol?
The InChIKey is BMCCOGNWSFVCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O3SSi/c1-8(5-6-12)7-13(9-2,10-3)11-4/h8,12H,5-7H2,1-4H3.
What are the key properties of 3-methyl-4-trimethoxysilylbutane-1-thiol?
3-methyl-4-trimethoxysilylbutane-1-thiol has a molecular weight of 224.40 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-trimethoxysilylbutane-1-thiol is sourced from PubChem (CID 140918157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).