[[[dimethylazaniumylidene(2-trimethoxysilylethylsulfanyl)methyl]tetrasulfanyl]-(2-trimethoxysilylethylsulfanyl)methylidene]-dimethylazanium

C16H38N2O6S6Si2+2 — CID 172696277

IUPAC[[[dimethylazaniumylidene(2-trimethoxysilylethylsulfanyl)methyl]tetrasulfanyl]-(2-trimethoxysilylethylsulfanyl)methylidene]-dimethylazanium
SMILESCO[Si](CCSC(SSSSC(SCC[Si](OC)(OC)OC)=[N+](C)C)=[N+](C)C)(OC)OC
InChIInChI=1S/C16H38N2O6S6Si2/c1-17(2)15(25-11-13-31(19-5,20-6)21-7)27-29-30-28-16(18(3)4)26-12-14-32(22-8,23-9)24-10/h11-14H2,1-10H3/q+2
InChIKeyNMSINRARNNWSHY-UHFFFAOYSA-N
MW603.06 g/mol
LogP4.14
Rot. Bonds15

About [[[dimethylazaniumylidene(2-trimethoxysilylethylsulfanyl)methyl]tetrasulfanyl]-(2-trimethoxysilylethylsulfanyl)methylidene]-dimethylazanium

[[[dimethylazaniumylidene(2-trimethoxysilylethylsulfanyl)methyl]tetrasulfanyl]-(2-trimethoxysilylethylsulfanyl)methylidene]-dimethylazanium (PubChem CID 172696277) has the molecular formula C16H38N2O6S6Si2+2 and a molecular weight of 603.06 g/mol. Its IUPAC name is [[[dimethylazaniumylidene(2-trimethoxysilylethylsulfanyl)methyl]tetrasulfanyl]-(2-trimethoxysilylethylsulfanyl)methylidene]-dimethylazanium.

Molecular Properties

Compound Name[[[dimethylazaniumylidene(2-trimethoxysilylethylsulfanyl)methyl]tetrasulfanyl]-(2-trimethoxysilylethylsulfanyl)methylidene]-dimethylazanium
PubChem CID172696277
Molecular FormulaC16H38N2O6S6Si2+2
Molecular Weight603.06 g/mol
Exact Mass602.06
IUPAC Name[[[dimethylazaniumylidene(2-trimethoxysilylethylsulfanyl)methyl]tetrasulfanyl]-(2-trimethoxysilylethylsulfanyl)methylidene]-dimethylazanium
SMILESCO[Si](CCSC(SSSSC(SCC[Si](OC)(OC)OC)=[N+](C)C)=[N+](C)C)(OC)OC
InChIInChI=1S/C16H38N2O6S6Si2/c1-17(2)15(25-11-13-31(19-5,20-6)21-7)27-29-30-28-16(18(3)4)26-12-14-32(22-8,23-9)24-10/h11-14H2,1-10H3/q+2
InChIKeyNMSINRARNNWSHY-UHFFFAOYSA-N
XLogP4.14
TPSA61.40 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.06
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

trimethoxy-[2-(2-trimethoxysilylethyldisulfanyl)ethyl]silane
CID 23263588
trimethoxy-[2-(2-trimethoxysilylethylhexasulfanyl)ethyl]silane
CID 54287941
2-(2-trimethoxysilylethylsulfanyl)ethanol
CID 71335611
[amino(3-trimethoxysilylpropylsulfanyl)methylidene]azanium
CID 101376195
2-(2-trimethoxysilylethylsulfanyl)ethanethiol
CID 57057435
3-trimethoxysilylpropylsulfanylmethanedithioic acid
CID 87557945
3-(2-trimethoxysilylethylsulfanyl)propane-1-thiol
CID 86093563
S-(2-methoxyethyl) N-(3-trimethoxysilylpropyl)carbamothioate
CID 155628473
S-(3-trimethoxysilylpropyl) butanethioate
CID 86045035
trimethoxy(3-silylsulfanylpropyl)silane
CID 123801748
trimethoxy-[12-(12-trimethoxysilyldodecyldisulfanyl)dodecyl]silane
CID 87873145
2-hexylsulfanylethyl(trimethoxy)silane
CID 159878767

Frequently Asked Questions

What is the IUPAC name of [[[dimethylazaniumylidene(2-trimethoxysilylethylsulfanyl)methyl]tetrasulfanyl]-(2-trimethoxysilylethylsulfanyl)methylidene]-dimethylazanium?
The IUPAC name of [[[dimethylazaniumylidene(2-trimethoxysilylethylsulfanyl)methyl]tetrasulfanyl]-(2-trimethoxysilylethylsulfanyl)methylidene]-dimethylazanium (CID 172696277) is [[[dimethylazaniumylidene(2-trimethoxysilylethylsulfanyl)methyl]tetrasulfanyl]-(2-trimethoxysilylethylsulfanyl)methylidene]-dimethylazanium.
What is the SMILES notation for [[[dimethylazaniumylidene(2-trimethoxysilylethylsulfanyl)methyl]tetrasulfanyl]-(2-trimethoxysilylethylsulfanyl)methylidene]-dimethylazanium?
The canonical SMILES for [[[dimethylazaniumylidene(2-trimethoxysilylethylsulfanyl)methyl]tetrasulfanyl]-(2-trimethoxysilylethylsulfanyl)methylidene]-dimethylazanium is CO[Si](CCSC(SSSSC(SCC[Si](OC)(OC)OC)=[N+](C)C)=[N+](C)C)(OC)OC.
What is the InChIKey of [[[dimethylazaniumylidene(2-trimethoxysilylethylsulfanyl)methyl]tetrasulfanyl]-(2-trimethoxysilylethylsulfanyl)methylidene]-dimethylazanium?
The InChIKey is NMSINRARNNWSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38N2O6S6Si2/c1-17(2)15(25-11-13-31(19-5,20-6)21-7)27-29-30-28-16(18(3)4)26-12-14-32(22-8,23-9)24-10/h11-14H2,1-10H3/q+2.
What are the key properties of [[[dimethylazaniumylidene(2-trimethoxysilylethylsulfanyl)methyl]tetrasulfanyl]-(2-trimethoxysilylethylsulfanyl)methylidene]-dimethylazanium?
[[[dimethylazaniumylidene(2-trimethoxysilylethylsulfanyl)methyl]tetrasulfanyl]-(2-trimethoxysilylethylsulfanyl)methylidene]-dimethylazanium has a molecular weight of 603.06 g/mol, XLogP of 4.14, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [[[dimethylazaniumylidene(2-trimethoxysilylethylsulfanyl)methyl]tetrasulfanyl]-(2-trimethoxysilylethylsulfanyl)methylidene]-dimethylazanium is sourced from PubChem (CID 172696277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).