3-(1,3-diethoxypropoxysilyl)propane-1-thiol

C10H24O3SSi — CID 175446121

IUPAC3-(1,3-diethoxypropoxysilyl)propane-1-thiol
SMILESCCOCCC(OCC)O[SiH2]CCCS
InChIInChI=1S/C10H24O3SSi/c1-3-11-7-6-10(12-4-2)13-15-9-5-8-14/h10,14H,3-9,15H2,1-2H3
InChIKeyAMUWCAUTDPUVFQ-UHFFFAOYSA-N
MW252.45 g/mol
LogP1.61
Rot. Bonds11

About 3-(1,3-diethoxypropoxysilyl)propane-1-thiol

3-(1,3-diethoxypropoxysilyl)propane-1-thiol (PubChem CID 175446121) has the molecular formula C10H24O3SSi and a molecular weight of 252.45 g/mol. Its IUPAC name is 3-(1,3-diethoxypropoxysilyl)propane-1-thiol.

Molecular Properties

Compound Name3-(1,3-diethoxypropoxysilyl)propane-1-thiol
PubChem CID175446121
Molecular FormulaC10H24O3SSi
Molecular Weight252.45 g/mol
Exact Mass252.12
IUPAC Name3-(1,3-diethoxypropoxysilyl)propane-1-thiol
SMILESCCOCCC(OCC)O[SiH2]CCCS
InChIInChI=1S/C10H24O3SSi/c1-3-11-7-6-10(12-4-2)13-15-9-5-8-14/h10,14H,3-9,15H2,1-2H3
InChIKeyAMUWCAUTDPUVFQ-UHFFFAOYSA-N
XLogP1.61
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 51.61
H-Bond Donors ≤ 51
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

3-(diethoxymethoxymethoxysilyl)propane-1-thiol
CID 172693779
butyl(1,2-dipropoxyethoxy)silane
CID 123351057
4-(3,3-diethoxypropoxy)-1,1,1-trifluorobutane
CID 82789960
2-(dipropoxymethoxysilyl)ethanethiol
CID 123916528
butyl(1,4-dimethoxybutoxy)silane
CID 175052836
1-O-(1,3-diethoxypropyl) 3-O-pentan-2-yl 2-ethylpropanedioate
CID 141353463
3-(3,3-diethoxypropoxysilyl)propylurea
CID 154499859
butyl(2-ethoxyethoxy)silane
CID 174932495
2-(diethoxymethoxysilyl)ethanamine
CID 123825582
3-(1-ethoxypropoxy)propan-1-ol
CID 57019436
2-ethoxy-3-(2-ethoxyethoxy)butane
CID 129061401
4-(3-ethoxy-3-propan-2-yloxypropoxy)butan-1-ol
CID 91589542

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-diethoxypropoxysilyl)propane-1-thiol?
The IUPAC name of 3-(1,3-diethoxypropoxysilyl)propane-1-thiol (CID 175446121) is 3-(1,3-diethoxypropoxysilyl)propane-1-thiol.
What is the SMILES notation for 3-(1,3-diethoxypropoxysilyl)propane-1-thiol?
The canonical SMILES for 3-(1,3-diethoxypropoxysilyl)propane-1-thiol is CCOCCC(OCC)O[SiH2]CCCS.
What is the InChIKey of 3-(1,3-diethoxypropoxysilyl)propane-1-thiol?
The InChIKey is AMUWCAUTDPUVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24O3SSi/c1-3-11-7-6-10(12-4-2)13-15-9-5-8-14/h10,14H,3-9,15H2,1-2H3.
What are the key properties of 3-(1,3-diethoxypropoxysilyl)propane-1-thiol?
3-(1,3-diethoxypropoxysilyl)propane-1-thiol has a molecular weight of 252.45 g/mol, XLogP of 1.61, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-diethoxypropoxysilyl)propane-1-thiol is sourced from PubChem (CID 175446121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).