2-(1,3-dithiol-2-yl)ethyl-trimethoxysilane

C8H16O3S2Si — CID 141037133

IUPAC2-(1,3-dithiol-2-yl)ethyl-trimethoxysilane
SMILESCO[Si](CCC1SC=CS1)(OC)OC
InChIInChI=1S/C8H16O3S2Si/c1-9-14(10-2,11-3)7-4-8-12-5-6-13-8/h5-6,8H,4,7H2,1-3H3
InChIKeyJXWNGWDCRFUEHQ-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.53
Rot. Bonds6

About 2-(1,3-dithiol-2-yl)ethyl-trimethoxysilane

2-(1,3-dithiol-2-yl)ethyl-trimethoxysilane (PubChem CID 141037133) has the molecular formula C8H16O3S2Si and a molecular weight of 252.43 g/mol. Its IUPAC name is 2-(1,3-dithiol-2-yl)ethyl-trimethoxysilane.

Molecular Properties

Compound Name2-(1,3-dithiol-2-yl)ethyl-trimethoxysilane
PubChem CID141037133
Molecular FormulaC8H16O3S2Si
Molecular Weight252.43 g/mol
Exact Mass252.03
IUPAC Name2-(1,3-dithiol-2-yl)ethyl-trimethoxysilane
SMILESCO[Si](CCC1SC=CS1)(OC)OC
InChIInChI=1S/C8H16O3S2Si/c1-9-14(10-2,11-3)7-4-8-12-5-6-13-8/h5-6,8H,4,7H2,1-3H3
InChIKeyJXWNGWDCRFUEHQ-UHFFFAOYSA-N
XLogP2.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,3-Dimethoxy-2-oxa-6,9-dithia-3-silaundec-10-ene
CID 57242898
3-(Vinylthio)propyltrimethoxysilane
CID 144019
3,3-Dimethoxy-2-oxa-7,10-dithia-3-siladodec-11-ene
CID 71381592
3,3-Dimethoxy-2-oxa-5,8-dithia-3-siladec-9-ene
CID 71382528
2-(2-Trimethoxysilylethyl)-1,3-dithiolane
CID 12070523
1-Ethenylsulfanylpropyl(trimethoxy)silane
CID 21425881
1-(1-Ethenylsulfanylethylsulfanyl)ethyl-trimethoxysilane
CID 21425885
(2-Ethenylsulfanyl-2-ethylsulfanylethyl)-trimethoxysilane
CID 54048728
3-Ethenylsulfanylpropyl-dimethoxy-methylsilane
CID 54090509
1,4-Bis(methylsulfanyl)butan-2-yl-trimethoxysilane
CID 88489589
Ethylsulfanyl(3-trimethoxysilylpropylsulfanyl)methanethione
CID 123807368
3-Ethenylsulfanylpropyl(triethoxy)silane
CID 140177021

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dithiol-2-yl)ethyl-trimethoxysilane?
The IUPAC name of 2-(1,3-dithiol-2-yl)ethyl-trimethoxysilane (CID 141037133) is 2-(1,3-dithiol-2-yl)ethyl-trimethoxysilane.
What is the SMILES notation for 2-(1,3-dithiol-2-yl)ethyl-trimethoxysilane?
The canonical SMILES for 2-(1,3-dithiol-2-yl)ethyl-trimethoxysilane is CO[Si](CCC1SC=CS1)(OC)OC.
What is the InChIKey of 2-(1,3-dithiol-2-yl)ethyl-trimethoxysilane?
The InChIKey is JXWNGWDCRFUEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S2Si/c1-9-14(10-2,11-3)7-4-8-12-5-6-13-8/h5-6,8H,4,7H2,1-3H3.
What are the key properties of 2-(1,3-dithiol-2-yl)ethyl-trimethoxysilane?
2-(1,3-dithiol-2-yl)ethyl-trimethoxysilane has a molecular weight of 252.43 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dithiol-2-yl)ethyl-trimethoxysilane is sourced from PubChem (CID 141037133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).