3-tripropoxysilylpropane-1,2-dithiol

C12H28O3S2Si — CID 22227193

IUPAC3-tripropoxysilylpropane-1,2-dithiol
SMILESCCCO[Si](CC(S)CS)(OCCC)OCCC
InChIInChI=1S/C12H28O3S2Si/c1-4-7-13-18(14-8-5-2,15-9-6-3)11-12(17)10-16/h12,16-17H,4-11H2,1-3H3
InChIKeyLIMAPPCJOMZXID-UHFFFAOYSA-N
MW312.57 g/mol
LogP3.43
Rot. Bonds12

About 3-tripropoxysilylpropane-1,2-dithiol

3-tripropoxysilylpropane-1,2-dithiol (PubChem CID 22227193) has the molecular formula C12H28O3S2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is 3-tripropoxysilylpropane-1,2-dithiol.

Molecular Properties

Compound Name3-tripropoxysilylpropane-1,2-dithiol
PubChem CID22227193
Molecular FormulaC12H28O3S2Si
Molecular Weight312.57 g/mol
Exact Mass312.12
IUPAC Name3-tripropoxysilylpropane-1,2-dithiol
SMILESCCCO[Si](CC(S)CS)(OCCC)OCCC
InChIInChI=1S/C12H28O3S2Si/c1-4-7-13-18(14-8-5-2,15-9-6-3)11-12(17)10-16/h12,16-17H,4-11H2,1-3H3
InChIKeyLIMAPPCJOMZXID-UHFFFAOYSA-N
XLogP3.43
TPSA27.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.57
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1-Propanethiol, 3-(triethoxysilyl)-
CID 84658
(3-Mercaptopropyl)trimethoxysilane
CID 20473
2-(Triethoxysilyl)ethanethiol
CID 87521
2-[(Tert-butyldimethylsilyl)oxy]ethane-1-thiol
CID 15401058
1-Propanethiol, 3,3'-(1,1,3,3-tetramethoxy-1,3-disiloxanediyl)bis-
CID 53424825
Ethanethiol, 2-[(triethylsilyl)oxy]-
CID 11790050
3-Mercaptopropylethoxysilane
CID 18432051
3-Mercaptopropylmethyldiethoxysilane
CID 18542002
1-Trimethoxysilylpropane-1-thiol
CID 21862945
Thiopropyltriethoxysilane
CID 21863098
beta-Mercaptopropyltriethoxysilane
CID 22726056
Bis[3-(ethoxy-silyl) propyl]disulfide
CID 57219165

Frequently Asked Questions

What is the IUPAC name of 3-tripropoxysilylpropane-1,2-dithiol?
The IUPAC name of 3-tripropoxysilylpropane-1,2-dithiol (CID 22227193) is 3-tripropoxysilylpropane-1,2-dithiol.
What is the SMILES notation for 3-tripropoxysilylpropane-1,2-dithiol?
The canonical SMILES for 3-tripropoxysilylpropane-1,2-dithiol is CCCO[Si](CC(S)CS)(OCCC)OCCC.
What is the InChIKey of 3-tripropoxysilylpropane-1,2-dithiol?
The InChIKey is LIMAPPCJOMZXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O3S2Si/c1-4-7-13-18(14-8-5-2,15-9-6-3)11-12(17)10-16/h12,16-17H,4-11H2,1-3H3.
What are the key properties of 3-tripropoxysilylpropane-1,2-dithiol?
3-tripropoxysilylpropane-1,2-dithiol has a molecular weight of 312.57 g/mol, XLogP of 3.43, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tripropoxysilylpropane-1,2-dithiol is sourced from PubChem (CID 22227193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).