tert-butyl-chloro-dimethylsilane;tert-butyl-dimethyl-(3-trimethoxysilylpropylsulfanyl)silane;3-trimethoxysilylpropane-1-thiol

C24H61ClO6S2Si4 — CID 167567175

IUPACtert-butyl-chloro-dimethylsilane;tert-butyl-dimethyl-(3-trimethoxysilylpropylsulfanyl)silane;3-trimethoxysilylpropane-1-thiol
SMILESCC(C)(C)[Si](C)(C)Cl.CO[Si](CCCS)(OC)OC.CO[Si](CCCS[Si](C)(C)C(C)(C)C)(OC)OC
InChIInChI=1S/C12H30O3SSi2.C6H15ClSi.C6H16O3SSi/c1-12(2,3)17(7,8)16-10-9-11-18(13-4,14-5)15-6;1-6(2,3)8(4,5)7;1-7-11(8-2,9-3)6-4-5-10/h9-11H2,1-8H3;1-5H3;10H,4-6H2,1-3H3
InChIKeyFKYIOFVKSSMGGF-UHFFFAOYSA-N
MW657.68 g/mol
LogP8.41
Rot. Bonds14

About tert-butyl-chloro-dimethylsilane;tert-butyl-dimethyl-(3-trimethoxysilylpropylsulfanyl)silane;3-trimethoxysilylpropane-1-thiol

tert-butyl-chloro-dimethylsilane;tert-butyl-dimethyl-(3-trimethoxysilylpropylsulfanyl)silane;3-trimethoxysilylpropane-1-thiol (PubChem CID 167567175) has the molecular formula C24H61ClO6S2Si4 and a molecular weight of 657.68 g/mol. Its IUPAC name is tert-butyl-chloro-dimethylsilane;tert-butyl-dimethyl-(3-trimethoxysilylpropylsulfanyl)silane;3-trimethoxysilylpropane-1-thiol.

Molecular Properties

Compound Nametert-butyl-chloro-dimethylsilane;tert-butyl-dimethyl-(3-trimethoxysilylpropylsulfanyl)silane;3-trimethoxysilylpropane-1-thiol
PubChem CID167567175
Molecular FormulaC24H61ClO6S2Si4
Molecular Weight657.68 g/mol
Exact Mass656.27
IUPAC Nametert-butyl-chloro-dimethylsilane;tert-butyl-dimethyl-(3-trimethoxysilylpropylsulfanyl)silane;3-trimethoxysilylpropane-1-thiol
SMILESCC(C)(C)[Si](C)(C)Cl.CO[Si](CCCS)(OC)OC.CO[Si](CCCS[Si](C)(C)C(C)(C)C)(OC)OC
InChIInChI=1S/C12H30O3SSi2.C6H15ClSi.C6H16O3SSi/c1-12(2,3)17(7,8)16-10-9-11-18(13-4,14-5)15-6;1-6(2,3)8(4,5)7;1-7-11(8-2,9-3)6-4-5-10/h9-11H2,1-8H3;1-5H3;10H,4-6H2,1-3H3
InChIKeyFKYIOFVKSSMGGF-UHFFFAOYSA-N
XLogP8.41
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.68
LogP ≤ 58.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

hydron;3-trimethoxysilylpropane-1-thiol
CID 174944178
silane;3-trimethoxysilylpropane-1-thiol
CID 157336747
methoxysilane;3-trimethoxysilylpropane-1-thiol
CID 159282463
5,5-dimethoxyhexane-1-thiol;3-trimethoxysilylpropane-1-thiol
CID 157162585
3-(2-trimethoxysilylethylsulfanyl)propane-1-thiol
CID 86093563
tert-butyl-(3-methoxysilylpropylsulfanyl)-dimethylsilane;methylperoxymethane
CID 159104117
tert-butyl-[[dimethoxy(methyl)silyl]methylsulfanyl]-dimethylsilane
CID 175914791
trimethoxy(3-silylsulfanylpropyl)silane
CID 123801748
3-tris(trimethylsilyloxy)silylpropane-1-thiol
CID 18003138
3-sulfanylpropanoic acid;3-trimethoxysilylpropane-1-thiol
CID 88693959
2-(2-trimethoxysilylethylsulfanyl)ethanethiol
CID 57057435
trimethoxy-[3-(oxiran-2-ylmethylsulfanyl)propyl]silane
CID 140639990

Frequently Asked Questions

What is the IUPAC name of tert-butyl-chloro-dimethylsilane;tert-butyl-dimethyl-(3-trimethoxysilylpropylsulfanyl)silane;3-trimethoxysilylpropane-1-thiol?
The IUPAC name of tert-butyl-chloro-dimethylsilane;tert-butyl-dimethyl-(3-trimethoxysilylpropylsulfanyl)silane;3-trimethoxysilylpropane-1-thiol (CID 167567175) is tert-butyl-chloro-dimethylsilane;tert-butyl-dimethyl-(3-trimethoxysilylpropylsulfanyl)silane;3-trimethoxysilylpropane-1-thiol.
What is the SMILES notation for tert-butyl-chloro-dimethylsilane;tert-butyl-dimethyl-(3-trimethoxysilylpropylsulfanyl)silane;3-trimethoxysilylpropane-1-thiol?
The canonical SMILES for tert-butyl-chloro-dimethylsilane;tert-butyl-dimethyl-(3-trimethoxysilylpropylsulfanyl)silane;3-trimethoxysilylpropane-1-thiol is CC(C)(C)[Si](C)(C)Cl.CO[Si](CCCS)(OC)OC.CO[Si](CCCS[Si](C)(C)C(C)(C)C)(OC)OC.
What is the InChIKey of tert-butyl-chloro-dimethylsilane;tert-butyl-dimethyl-(3-trimethoxysilylpropylsulfanyl)silane;3-trimethoxysilylpropane-1-thiol?
The InChIKey is FKYIOFVKSSMGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30O3SSi2.C6H15ClSi.C6H16O3SSi/c1-12(2,3)17(7,8)16-10-9-11-18(13-4,14-5)15-6;1-6(2,3)8(4,5)7;1-7-11(8-2,9-3)6-4-5-10/h9-11H2,1-8H3;1-5H3;10H,4-6H2,1-3H3.
What are the key properties of tert-butyl-chloro-dimethylsilane;tert-butyl-dimethyl-(3-trimethoxysilylpropylsulfanyl)silane;3-trimethoxysilylpropane-1-thiol?
tert-butyl-chloro-dimethylsilane;tert-butyl-dimethyl-(3-trimethoxysilylpropylsulfanyl)silane;3-trimethoxysilylpropane-1-thiol has a molecular weight of 657.68 g/mol, XLogP of 8.41, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-chloro-dimethylsilane;tert-butyl-dimethyl-(3-trimethoxysilylpropylsulfanyl)silane;3-trimethoxysilylpropane-1-thiol is sourced from PubChem (CID 167567175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).