methyl 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetate

C12H14N4O3S — CID 2614037

IUPACmethyl 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetate
SMILESCCOc1ccccc1-n1nnnc1SCC(=O)OC
InChIInChI=1S/C12H14N4O3S/c1-3-19-10-7-5-4-6-9(10)16-12(13-14-15-16)20-8-11(17)18-2/h4-7H,3,8H2,1-2H3
InChIKeyVUEJOQOAXHKZQT-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.33
Rot. Bonds6

About methyl 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetate

methyl 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetate (PubChem CID 2614037) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is methyl 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetate
PubChem CID2614037
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Namemethyl 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetate
SMILESCCOc1ccccc1-n1nnnc1SCC(=O)OC
InChIInChI=1S/C12H14N4O3S/c1-3-19-10-7-5-4-6-9(10)16-12(13-14-15-16)20-8-11(17)18-2/h4-7H,3,8H2,1-2H3
InChIKeyVUEJOQOAXHKZQT-UHFFFAOYSA-N
XLogP1.33
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-(2-Fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(2-methoxy-phenyl)-acetamide
CID 1078050
1-(4-ethoxyphenyl)-5-(prop-2-ynylthio)-1H-1,2,3,4-tetraazole
CID 2731967
1-[2-[1-(2-Methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one
CID 24818352
4-((1-(4-Methoxyphenyl)-1H-tetrazol-5-yl)thio)but-2-yn-1-ol
CID 666301
4-({[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]thio}acetyl)morpholine
CID 859708
N-(2-ethoxyphenyl)-2-[(1-phenyl-1H-tetrazol-5-yl)thio]acetamide
CID 982774
N-(2-methoxyphenyl)-2-{[1-(2-methoxyphenyl)-1H-tetrazol-5-yl]thio}acetamide
CID 1156610
5-(2-Phenoxyethylsulfanyl)-1-phenyltetrazole
CID 1594276
5-[2-(2-Fluorophenoxy)ethylsulfanyl]-1-phenyltetrazole
CID 2211396
3-[[4-(2-Methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one
CID 2997528
1-(2-Methoxy-5-methylphenyl)-5-(2-oxanylmethylthio)tetrazole
CID 2997968
N-(2-butoxyphenyl)-2-[(1-tert-butyl-1H-tetrazol-5-yl)thio]acetamide
CID 3240376

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetate?
The IUPAC name of methyl 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetate (CID 2614037) is methyl 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetate.
What is the SMILES notation for methyl 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetate?
The canonical SMILES for methyl 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetate is CCOc1ccccc1-n1nnnc1SCC(=O)OC.
What is the InChIKey of methyl 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetate?
The InChIKey is VUEJOQOAXHKZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-3-19-10-7-5-4-6-9(10)16-12(13-14-15-16)20-8-11(17)18-2/h4-7H,3,8H2,1-2H3.
What are the key properties of methyl 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetate?
methyl 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetate has a molecular weight of 294.34 g/mol, XLogP of 1.33, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetate is sourced from PubChem (CID 2614037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).