2-(1-ethyltetrazol-5-yl)sulfanyl-1-(4-methylphenyl)ethanone

C12H14N4OS — CID 864274

IUPAC2-(1-ethyltetrazol-5-yl)sulfanyl-1-(4-methylphenyl)ethanone
SMILESCCn1nnnc1SCC(=O)c1ccc(C)cc1
InChIInChI=1S/C12H14N4OS/c1-3-16-12(13-14-15-16)18-8-11(17)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
InChIKeyLVEJSUDQIYDVSX-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.98
Rot. Bonds5

About 2-(1-ethyltetrazol-5-yl)sulfanyl-1-(4-methylphenyl)ethanone

2-(1-ethyltetrazol-5-yl)sulfanyl-1-(4-methylphenyl)ethanone (PubChem CID 864274) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 2-(1-ethyltetrazol-5-yl)sulfanyl-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(1-ethyltetrazol-5-yl)sulfanyl-1-(4-methylphenyl)ethanone
PubChem CID864274
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name2-(1-ethyltetrazol-5-yl)sulfanyl-1-(4-methylphenyl)ethanone
SMILESCCn1nnnc1SCC(=O)c1ccc(C)cc1
InChIInChI=1S/C12H14N4OS/c1-3-16-12(13-14-15-16)18-8-11(17)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
InChIKeyLVEJSUDQIYDVSX-UHFFFAOYSA-N
XLogP1.98
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyltetrazol-5-yl)sulfanyl-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-(1-ethyltetrazol-5-yl)sulfanyl-1-(4-methylphenyl)ethanone (CID 864274) is 2-(1-ethyltetrazol-5-yl)sulfanyl-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(1-ethyltetrazol-5-yl)sulfanyl-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(1-ethyltetrazol-5-yl)sulfanyl-1-(4-methylphenyl)ethanone is CCn1nnnc1SCC(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(1-ethyltetrazol-5-yl)sulfanyl-1-(4-methylphenyl)ethanone?
The InChIKey is LVEJSUDQIYDVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-3-16-12(13-14-15-16)18-8-11(17)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3.
What are the key properties of 2-(1-ethyltetrazol-5-yl)sulfanyl-1-(4-methylphenyl)ethanone?
2-(1-ethyltetrazol-5-yl)sulfanyl-1-(4-methylphenyl)ethanone has a molecular weight of 262.34 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyltetrazol-5-yl)sulfanyl-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 864274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).