CID 172693658

C14H30N2O2S6Si2+2 — CID 172693658

IUPAC—
SMILESCO[Si]CCCSC(SSSSC(SCCC[Si]OC)=[N+](C)C)=[N+](C)C
InChIInChI=1S/C14H30N2O2S6Si2/c1-15(2)13(19-9-7-11-25-17-5)21-23-24-22-14(16(3)4)20-10-8-12-26-18-6/h7-12H2,1-6H3/q+2
InChIKeyHTXHTJQEPYNXAN-UHFFFAOYSA-N
MW506.98 g/mol
LogP4.53
Rot. Bonds13

About CID 172693658

CID 172693658 (PubChem CID 172693658) has the molecular formula C14H30N2O2S6Si2+2 and a molecular weight of 506.98 g/mol.

Molecular Properties

Compound NameCID 172693658
PubChem CID172693658
Molecular FormulaC14H30N2O2S6Si2+2
Molecular Weight506.98 g/mol
Exact Mass506.02
IUPAC Name—
SMILESCO[Si]CCCSC(SSSSC(SCCC[Si]OC)=[N+](C)C)=[N+](C)C
InChIInChI=1S/C14H30N2O2S6Si2/c1-15(2)13(19-9-7-11-25-17-5)21-23-24-22-14(16(3)4)20-10-8-12-26-18-6/h7-12H2,1-6H3/q+2
InChIKeyHTXHTJQEPYNXAN-UHFFFAOYSA-N
XLogP4.53
TPSA24.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.98
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

[[[dimethylazaniumylidene(2-trimethoxysilylethylsulfanyl)methyl]tetrasulfanyl]-(2-trimethoxysilylethylsulfanyl)methylidene]-dimethylazanium
CID 172696277
CID 172816830
CID 172816830
CID 19011196
CID 19011196
CID 153445075
CID 153445075
CID 59114033
CID 59114033
[amino(3-trimethoxysilylpropylsulfanyl)methylidene]azanium
CID 101376195
3-trimethoxysilylpropylsulfanylmethanedithioic acid
CID 87557945
CID 59895721
CID 59895721
[dimethylamino(nonylsulfanyl)methylidene]-dimethylazanium
CID 87805883
CID 150955062
CID 150955062
S-[3-[2-(3-acetylsulfanylpropoxy)ethoxy]propyl] ethanethioate
CID 59345691
methyl butylsulfanylformate
CID 18471928

Frequently Asked Questions

What is the IUPAC name of CID 172693658?
The IUPAC name of CID 172693658 (CID 172693658) is not available.
What is the SMILES notation for CID 172693658?
The canonical SMILES for CID 172693658 is CO[Si]CCCSC(SSSSC(SCCC[Si]OC)=[N+](C)C)=[N+](C)C.
What is the InChIKey of CID 172693658?
The InChIKey is HTXHTJQEPYNXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S6Si2/c1-15(2)13(19-9-7-11-25-17-5)21-23-24-22-14(16(3)4)20-10-8-12-26-18-6/h7-12H2,1-6H3/q+2.
What are the key properties of CID 172693658?
CID 172693658 has a molecular weight of 506.98 g/mol, XLogP of 4.53, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172693658 is sourced from PubChem (CID 172693658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).