[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl-trimethylsilane

C13H20N4SSi — CID 56529201

IUPAC[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl-trimethylsilane
SMILESCc1cccc(-n2nnnc2SC[Si](C)(C)C)c1C
InChIInChI=1S/C13H20N4SSi/c1-10-7-6-8-12(11(10)2)17-13(14-15-16-17)18-9-19(3,4)5/h6-8H,9H2,1-5H3
InChIKeyBYNFUKDYFHADML-UHFFFAOYSA-N
MW292.48 g/mol
LogP3.25
Rot. Bonds4

About [1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl-trimethylsilane

[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl-trimethylsilane (PubChem CID 56529201) has the molecular formula C13H20N4SSi and a molecular weight of 292.48 g/mol. Its IUPAC name is [1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl-trimethylsilane.

Molecular Properties

Compound Name[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl-trimethylsilane
PubChem CID56529201
Molecular FormulaC13H20N4SSi
Molecular Weight292.48 g/mol
Exact Mass292.12
IUPAC Name[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl-trimethylsilane
SMILESCc1cccc(-n2nnnc2SC[Si](C)(C)C)c1C
InChIInChI=1S/C13H20N4SSi/c1-10-7-6-8-12(11(10)2)17-13(14-15-16-17)18-9-19(3,4)5/h6-8H,9H2,1-5H3
InChIKeyBYNFUKDYFHADML-UHFFFAOYSA-N
XLogP3.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.48
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dimethylphenyl)-5-methylsulfanyltetrazole
CID 60519571
3-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-5-methyl-1,2-oxazole
CID 27025355
6-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 86907437
1-(2,3-dimethylphenyl)-5-[(1R)-1-phenylethyl]sulfanyltetrazole
CID 8798481
5-tert-butyl-3-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 35362430
1-(4-bromophenyl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylethanone
CID 30967494
5-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
CID 8798469
1-(2,6-dimethylmorpholin-4-yl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylethanone
CID 84838453
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 9205950
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 8798833
3-[2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylethoxy]benzonitrile
CID 60515030
1-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylethanone
CID 8799158

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl-trimethylsilane?
The IUPAC name of [1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl-trimethylsilane (CID 56529201) is [1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl-trimethylsilane.
What is the SMILES notation for [1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl-trimethylsilane?
The canonical SMILES for [1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl-trimethylsilane is Cc1cccc(-n2nnnc2SC[Si](C)(C)C)c1C.
What is the InChIKey of [1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl-trimethylsilane?
The InChIKey is BYNFUKDYFHADML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4SSi/c1-10-7-6-8-12(11(10)2)17-13(14-15-16-17)18-9-19(3,4)5/h6-8H,9H2,1-5H3.
What are the key properties of [1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl-trimethylsilane?
[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl-trimethylsilane has a molecular weight of 292.48 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl-trimethylsilane is sourced from PubChem (CID 56529201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).