ethylsulfanyl(3-trimethoxysilylpropylsulfanyl)methanethione

C9H20O3S3Si — CID 123807368

IUPACethylsulfanyl(3-trimethoxysilylpropylsulfanyl)methanethione
SMILESCCSC(=S)SCCC[Si](OC)(OC)OC
InChIInChI=1S/C9H20O3S3Si/c1-5-14-9(13)15-7-6-8-16(10-2,11-3)12-4/h5-8H2,1-4H3
InChIKeyIKZBBJBPOYGLGB-UHFFFAOYSA-N
MW300.54 g/mol
LogP3.03
Rot. Bonds8

About ethylsulfanyl(3-trimethoxysilylpropylsulfanyl)methanethione

ethylsulfanyl(3-trimethoxysilylpropylsulfanyl)methanethione (PubChem CID 123807368) has the molecular formula C9H20O3S3Si and a molecular weight of 300.54 g/mol. Its IUPAC name is ethylsulfanyl(3-trimethoxysilylpropylsulfanyl)methanethione.

Molecular Properties

Compound Nameethylsulfanyl(3-trimethoxysilylpropylsulfanyl)methanethione
PubChem CID123807368
Molecular FormulaC9H20O3S3Si
Molecular Weight300.54 g/mol
Exact Mass300.03
IUPAC Nameethylsulfanyl(3-trimethoxysilylpropylsulfanyl)methanethione
SMILESCCSC(=S)SCCC[Si](OC)(OC)OC
InChIInChI=1S/C9H20O3S3Si/c1-5-14-9(13)15-7-6-8-16(10-2,11-3)12-4/h5-8H2,1-4H3
InChIKeyIKZBBJBPOYGLGB-UHFFFAOYSA-N
XLogP3.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.54
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

Cyanomethyl (3-(trimethoxysilyl)propyl) carbonotrithioate
CID 59356297
[3-(Ethylsulfanyl)propyl](trimethoxy)silane
CID 12484752
[(Butylthio)methyl]trimethoxysilane
CID 12484755
Trimethoxy[3-(methylsulfanyl)propyl]silane
CID 13307608
O-ethyl 3-triethoxysilylpropylsulfanylmethanethioate
CID 21537008
Trimethoxy(4-methylsulfanylbutyl)silane
CID 141035778
2-(2-Trimethoxysilylethyl)-1,3-dithiolane
CID 12070523
2-(1,3-Dithiolan-2-yl)ethyl-dimethoxy-methylsilane
CID 12070524
2-(2-Trimethoxysilylethyl)-1,3-dithiane
CID 12070525
Trimethoxy(2-propylsulfanylethyl)silane
CID 12484754
3-Butylsulfanylpropyl(trimethoxy)silane
CID 12484758
Trimethoxy(2-methylsulfanylpentyl)silane
CID 20675042

Frequently Asked Questions

What is the IUPAC name of ethylsulfanyl(3-trimethoxysilylpropylsulfanyl)methanethione?
The IUPAC name of ethylsulfanyl(3-trimethoxysilylpropylsulfanyl)methanethione (CID 123807368) is ethylsulfanyl(3-trimethoxysilylpropylsulfanyl)methanethione.
What is the SMILES notation for ethylsulfanyl(3-trimethoxysilylpropylsulfanyl)methanethione?
The canonical SMILES for ethylsulfanyl(3-trimethoxysilylpropylsulfanyl)methanethione is CCSC(=S)SCCC[Si](OC)(OC)OC.
What is the InChIKey of ethylsulfanyl(3-trimethoxysilylpropylsulfanyl)methanethione?
The InChIKey is IKZBBJBPOYGLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3S3Si/c1-5-14-9(13)15-7-6-8-16(10-2,11-3)12-4/h5-8H2,1-4H3.
What are the key properties of ethylsulfanyl(3-trimethoxysilylpropylsulfanyl)methanethione?
ethylsulfanyl(3-trimethoxysilylpropylsulfanyl)methanethione has a molecular weight of 300.54 g/mol, XLogP of 3.03, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfanyl(3-trimethoxysilylpropylsulfanyl)methanethione is sourced from PubChem (CID 123807368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).