3-[[[dimethoxy(3-sulfanylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethoxysilyl]propane-1-thiol;3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propane-1-thiol;3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propane-1-thiol

C36H98O11S5Si10 — CID 158951251

IUPAC3-[[[dimethoxy(3-sulfanylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethoxysilyl]propane-1-thiol;3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propane-1-thiol;3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propane-1-thiol
SMILESCO[Si](CCCS)(OC)O[Si](C)(C)O[Si](CCCS)(OC)OC.C[Si](C)(C)O[Si](C)(C)O[Si](C)(CCCS)O[Si](C)(C)C.C[Si](C)(CCCS)O[Si](C)(C)O[Si](C)(C)CCCS
InChIInChI=1S/C12H32O6S2Si3.C12H34O3SSi4.C12H32O2S2Si3/c1-13-22(14-2,11-7-9-19)17-21(5,6)18-23(15-3,16-4)12-8-10-20;1-17(2,3)13-19(7,8)15-20(9,12-10-11-16)14-18(4,5)6;1-17(2,11-7-9-15)13-19(5,6)14-18(3,4)12-8-10-16/h19-20H,7-12H2,1-6H3;16H,10-12H2,1-9H3;15-16H,7-12H2,1-6H3
InChIKeyJLLKSSWCWYTDRN-UHFFFAOYSA-N
MW1148.36 g/mol
LogP12.40
Rot. Bonds33

About 3-[[[dimethoxy(3-sulfanylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethoxysilyl]propane-1-thiol;3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propane-1-thiol;3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propane-1-thiol

3-[[[dimethoxy(3-sulfanylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethoxysilyl]propane-1-thiol;3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propane-1-thiol;3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propane-1-thiol (PubChem CID 158951251) has the molecular formula C36H98O11S5Si10 and a molecular weight of 1148.36 g/mol. Its IUPAC name is 3-[[[dimethoxy(3-sulfanylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethoxysilyl]propane-1-thiol;3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propane-1-thiol;3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propane-1-thiol.

Molecular Properties

Compound Name3-[[[dimethoxy(3-sulfanylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethoxysilyl]propane-1-thiol;3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propane-1-thiol;3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propane-1-thiol
PubChem CID158951251
Molecular FormulaC36H98O11S5Si10
Molecular Weight1148.36 g/mol
Exact Mass1146.34
IUPAC Name3-[[[dimethoxy(3-sulfanylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethoxysilyl]propane-1-thiol;3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propane-1-thiol;3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propane-1-thiol
SMILESCO[Si](CCCS)(OC)O[Si](C)(C)O[Si](CCCS)(OC)OC.C[Si](C)(C)O[Si](C)(C)O[Si](C)(CCCS)O[Si](C)(C)C.C[Si](C)(CCCS)O[Si](C)(C)O[Si](C)(C)CCCS
InChIInChI=1S/C12H32O6S2Si3.C12H34O3SSi4.C12H32O2S2Si3/c1-13-22(14-2,11-7-9-19)17-21(5,6)18-23(15-3,16-4)12-8-10-20;1-17(2,3)13-19(7,8)15-20(9,12-10-11-16)14-18(4,5)6;1-17(2,11-7-9-15)13-19(5,6)14-18(3,4)12-8-10-16/h19-20H,7-12H2,1-6H3;16H,10-12H2,1-9H3;15-16H,7-12H2,1-6H3
InChIKeyJLLKSSWCWYTDRN-UHFFFAOYSA-N
XLogP12.40
TPSA101.53 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds33
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001148.36
LogP ≤ 512.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3-[[[dimethoxy(3-sulfanylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethoxysilyl]propane-1-thiol;3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propane-1-thiol;3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propane-1-thiol with MolForge

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Related Compounds

3-[bis[[3-[2-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethylsulfanyl]propyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy]-methylsilyl]propane-1-thiol
CID 155627965
3-tris(trimethylsilyloxy)silylpropane-1-thiol
CID 18003138
silane;3-trimethoxysilylpropane-1-thiol
CID 157336747
hydron;3-trimethoxysilylpropane-1-thiol
CID 174944178
2-[dimethoxy(methyl)silyl]ethyl-[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilane
CID 58997544
[dimethyl(trimethylsilyloxy)silyl]oxy-[2-[methoxy(dimethyl)silyl]ethyl]-dimethylsilane
CID 158699063
2,2-bis[3-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]propyl]propane-1,3-diol;2,2-bis[3-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]propane-1,3-diol;2,2-bis[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl]propane-1,3-diol;2,2-bis[3-[dimethyl(trimethylsilyloxy)silyl]propyl]propane-1,3-diol
CID 160690049
butyl-bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilane
CID 20825042
[dimethyl-(methyl-pentyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-trimethylsilyloxysilane
CID 59892520
[dimethyl(trimethylsilyloxy)silyl]oxy-hexyl-methyl-trimethylsilyloxysilane
CID 58022647
methoxysilane;3-trimethoxysilylpropane-1-thiol
CID 159282463
3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-trimethylazanium
CID 23523174

Frequently Asked Questions

What is the IUPAC name of 3-[[[dimethoxy(3-sulfanylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethoxysilyl]propane-1-thiol;3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propane-1-thiol;3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propane-1-thiol?
The IUPAC name of 3-[[[dimethoxy(3-sulfanylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethoxysilyl]propane-1-thiol;3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propane-1-thiol;3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propane-1-thiol (CID 158951251) is 3-[[[dimethoxy(3-sulfanylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethoxysilyl]propane-1-thiol;3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propane-1-thiol;3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propane-1-thiol.
What is the SMILES notation for 3-[[[dimethoxy(3-sulfanylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethoxysilyl]propane-1-thiol;3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propane-1-thiol;3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propane-1-thiol?
The canonical SMILES for 3-[[[dimethoxy(3-sulfanylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethoxysilyl]propane-1-thiol;3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propane-1-thiol;3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propane-1-thiol is CO[Si](CCCS)(OC)O[Si](C)(C)O[Si](CCCS)(OC)OC.C[Si](C)(C)O[Si](C)(C)O[Si](C)(CCCS)O[Si](C)(C)C.C[Si](C)(CCCS)O[Si](C)(C)O[Si](C)(C)CCCS.
What is the InChIKey of 3-[[[dimethoxy(3-sulfanylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethoxysilyl]propane-1-thiol;3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propane-1-thiol;3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propane-1-thiol?
The InChIKey is JLLKSSWCWYTDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H32O6S2Si3.C12H34O3SSi4.C12H32O2S2Si3/c1-13-22(14-2,11-7-9-19)17-21(5,6)18-23(15-3,16-4)12-8-10-20;1-17(2,3)13-19(7,8)15-20(9,12-10-11-16)14-18(4,5)6;1-17(2,11-7-9-15)13-19(5,6)14-18(3,4)12-8-10-16/h19-20H,7-12H2,1-6H3;16H,10-12H2,1-9H3;15-16H,7-12H2,1-6H3.
What are the key properties of 3-[[[dimethoxy(3-sulfanylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethoxysilyl]propane-1-thiol;3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propane-1-thiol;3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propane-1-thiol?
3-[[[dimethoxy(3-sulfanylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethoxysilyl]propane-1-thiol;3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propane-1-thiol;3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propane-1-thiol has a molecular weight of 1148.36 g/mol, XLogP of 12.40, 33 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[dimethoxy(3-sulfanylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethoxysilyl]propane-1-thiol;3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propane-1-thiol;3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propane-1-thiol is sourced from PubChem (CID 158951251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).