ethyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate

C11H12N4O2S — CID 736914

IUPACethyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate
SMILESCCOC(=O)CSc1nnnn1-c1ccccc1
InChIInChI=1S/C11H12N4O2S/c1-2-17-10(16)8-18-11-12-13-14-15(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyZZEPFFJCNRUHDM-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.32
Rot. Bonds5

About ethyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate

ethyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate (PubChem CID 736914) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is ethyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate
PubChem CID736914
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Nameethyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate
SMILESCCOC(=O)CSc1nnnn1-c1ccccc1
InChIInChI=1S/C11H12N4O2S/c1-2-17-10(16)8-18-11-12-13-14-15(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyZZEPFFJCNRUHDM-UHFFFAOYSA-N
XLogP1.32
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Stk291648
CID 4424052
1-Phenyl-5-propoxy-1H-tetrazole
CID 3150887
3-[(1-Phenyl-1H-tetrazol-5-yl)thio]propanoic acid
CID 649116
[(1-phenyl-1H-tetrazol-5-yl)thio]acetic acid
CID 675082
2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetohydrazide
CID 671673
ethyl N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]carbamate
CID 2172307
3-[(1-Phenyl-5-tetrazolyl)thio]-2-oxolanone
CID 2948751
3-[1-(2-Methylphenyl)tetrazol-5-yl]sulfanyloxolan-2-one
CID 2998282
3-(1-Phenyl-1,2,3,4-tetraazol-5-ylthio)pentane-2,4-dione
CID 2746016
3-[1-(4-Chlorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one
CID 2967209
Acetic acid, [(1-phenyl-1H-tetrazol-5-yl)thio]-, methyl ester
CID 793874
2-(1-Phenyltetrazol-5-yl)sulfanylacetamide
CID 716331

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate?
The IUPAC name of ethyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate (CID 736914) is ethyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate.
What is the SMILES notation for ethyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate?
The canonical SMILES for ethyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate is CCOC(=O)CSc1nnnn1-c1ccccc1.
What is the InChIKey of ethyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate?
The InChIKey is ZZEPFFJCNRUHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-2-17-10(16)8-18-11-12-13-14-15(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of ethyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate?
ethyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate has a molecular weight of 264.31 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate is sourced from PubChem (CID 736914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).