2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetic acid

C11H12N4O3S — CID 1132799

IUPAC2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetic acid
SMILESCCOc1ccccc1-n1nnnc1SCC(=O)O
InChIInChI=1S/C11H12N4O3S/c1-2-18-9-6-4-3-5-8(9)15-11(12-13-14-15)19-7-10(16)17/h3-6H,2,7H2,1H3,(H,16,17)
InChIKeyPMSIUZJIDLHYNY-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.24
Rot. Bonds6

About 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetic acid

2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetic acid (PubChem CID 1132799) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetic acid
PubChem CID1132799
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Name2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetic acid
SMILESCCOc1ccccc1-n1nnnc1SCC(=O)O
InChIInChI=1S/C11H12N4O3S/c1-2-18-9-6-4-3-5-8(9)15-11(12-13-14-15)19-7-10(16)17/h3-6H,2,7H2,1H3,(H,16,17)
InChIKeyPMSIUZJIDLHYNY-UHFFFAOYSA-N
XLogP1.24
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
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
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
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 24686441
2-[1-(2,5-Dimethoxyphenyl)tetrazol-5-yl]sulfanylacetic acid
CID 858302

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetic acid (CID 1132799) is 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetic acid is CCOc1ccccc1-n1nnnc1SCC(=O)O.
What is the InChIKey of 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetic acid?
The InChIKey is PMSIUZJIDLHYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-2-18-9-6-4-3-5-8(9)15-11(12-13-14-15)19-7-10(16)17/h3-6H,2,7H2,1H3,(H,16,17).
What are the key properties of 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetic acid?
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetic acid has a molecular weight of 280.31 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetic acid is sourced from PubChem (CID 1132799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).