trimethoxy-[3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)sulfanyl]propyl]silane

C9H19N3O3S2Si — CID 140758675

IUPACtrimethoxy-[3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)sulfanyl]propyl]silane
SMILESCO[Si](CCCSc1nc(SC)n[nH]1)(OC)OC
InChIInChI=1S/C9H19N3O3S2Si/c1-13-18(14-2,15-3)7-5-6-17-9-10-8(16-4)11-12-9/h5-7H2,1-4H3,(H,10,11,12)
InChIKeyIAVYIQXCJVMYNS-UHFFFAOYSA-N
MW309.49 g/mol
LogP1.89
Rot. Bonds9

About trimethoxy-[3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)sulfanyl]propyl]silane

trimethoxy-[3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)sulfanyl]propyl]silane (PubChem CID 140758675) has the molecular formula C9H19N3O3S2Si and a molecular weight of 309.49 g/mol. Its IUPAC name is trimethoxy-[3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)sulfanyl]propyl]silane.

Molecular Properties

Compound Nametrimethoxy-[3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)sulfanyl]propyl]silane
PubChem CID140758675
Molecular FormulaC9H19N3O3S2Si
Molecular Weight309.49 g/mol
Exact Mass309.06
IUPAC Nametrimethoxy-[3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)sulfanyl]propyl]silane
SMILESCO[Si](CCCSc1nc(SC)n[nH]1)(OC)OC
InChIInChI=1S/C9H19N3O3S2Si/c1-13-18(14-2,15-3)7-5-6-17-9-10-8(16-4)11-12-9/h5-7H2,1-4H3,(H,10,11,12)
InChIKeyIAVYIQXCJVMYNS-UHFFFAOYSA-N
XLogP1.89
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.49
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(3-triethoxysilylpropylsulfanyl)-1H-1,2,4-triazol-5-amine
CID 132554513
trimethoxy(3-silylsulfanylpropyl)silane
CID 123801748
3-(butyldisulfanyl)propyl-trimethoxysilane
CID 14765024
trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
3-[3-(4-methoxyphenoxy)propylsulfanyl]-5-methyl-1H-1,2,4-triazole
CID 39020131
4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]butan-1-ol
CID 61346098
trimethoxy-[12-(12-trimethoxysilyldodecyldisulfanyl)dodecyl]silane
CID 87873145
methyl N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)carbamate
CID 12745669
5-(3,4-dimethoxyphenyl)-3-methylsulfanyl-1H-1,2,4-triazole
CID 671837
methyl N-[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]carbamate
CID 15017028
[amino(3-trimethoxysilylpropylsulfanyl)methylidene]azanium
CID 101376195
dimethoxy-methyl-(4-trimethoxysilylbutyl)silane
CID 87101984

Frequently Asked Questions

What is the IUPAC name of trimethoxy-[3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)sulfanyl]propyl]silane?
The IUPAC name of trimethoxy-[3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)sulfanyl]propyl]silane (CID 140758675) is trimethoxy-[3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)sulfanyl]propyl]silane.
What is the SMILES notation for trimethoxy-[3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)sulfanyl]propyl]silane?
The canonical SMILES for trimethoxy-[3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)sulfanyl]propyl]silane is CO[Si](CCCSc1nc(SC)n[nH]1)(OC)OC.
What is the InChIKey of trimethoxy-[3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)sulfanyl]propyl]silane?
The InChIKey is IAVYIQXCJVMYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S2Si/c1-13-18(14-2,15-3)7-5-6-17-9-10-8(16-4)11-12-9/h5-7H2,1-4H3,(H,10,11,12).
What are the key properties of trimethoxy-[3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)sulfanyl]propyl]silane?
trimethoxy-[3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)sulfanyl]propyl]silane has a molecular weight of 309.49 g/mol, XLogP of 1.89, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)sulfanyl]propyl]silane is sourced from PubChem (CID 140758675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).