2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanyl-1-phenylethanone

C12H14N4O2S — CID 648820

IUPAC2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanyl-1-phenylethanone
SMILESCOCCn1nnnc1SCC(=O)c1ccccc1
InChIInChI=1S/C12H14N4O2S/c1-18-8-7-16-12(13-14-15-16)19-9-11(17)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeyMTGZYYXSGZDLSZ-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.29
Rot. Bonds7

About 2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanyl-1-phenylethanone

2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanyl-1-phenylethanone (PubChem CID 648820) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanyl-1-phenylethanone.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanyl-1-phenylethanone
PubChem CID648820
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanyl-1-phenylethanone
SMILESCOCCn1nnnc1SCC(=O)c1ccccc1
InChIInChI=1S/C12H14N4O2S/c1-18-8-7-16-12(13-14-15-16)19-9-11(17)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeyMTGZYYXSGZDLSZ-UHFFFAOYSA-N
XLogP1.29
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,4-Dimethyl-phenyl)-2-(1-ethyl-1H-tetrazol-5-ylsulfanyl)-ethanone
CID 864275
1-(2,4-Dimethyl-phenyl)-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-ethanone
CID 1452339
1-(2,5-Dimethyl-phenyl)-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-ethanone
CID 1452340
2-(1-Butyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)ethanone
CID 3212937
2-(1-Butyl-1H-tetrazol-5-ylsulfanyl)-1-(3,4-dimethyl-phenyl)-ethanone
CID 653568
1-(4-Fluoro-phenyl)-2-[1-(2-methoxy-ethyl)-1H-tetrazol-5-ylsulfanyl]-ethanone
CID 654764
2-(1-Benzyl-1H-tetrazol-5-ylsulfanyl)-1-phenyl-ethanone
CID 656235
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-1-p-tolyl-ethanone
CID 864274
1-(4-Fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone
CID 1452338
1-(4-Fluorophenyl)-4-(1-methyltetrazol-5-yl)sulfanylbutan-1-one
CID 2446630
1-Phenyl-2-(1-propyltetrazol-5-yl)sulfanylethanone
CID 3212926
2-(1-Cyclopentyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)ethanone
CID 3228970

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanyl-1-phenylethanone?
The IUPAC name of 2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanyl-1-phenylethanone (CID 648820) is 2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanyl-1-phenylethanone.
What is the SMILES notation for 2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanyl-1-phenylethanone?
The canonical SMILES for 2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanyl-1-phenylethanone is COCCn1nnnc1SCC(=O)c1ccccc1.
What is the InChIKey of 2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanyl-1-phenylethanone?
The InChIKey is MTGZYYXSGZDLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-18-8-7-16-12(13-14-15-16)19-9-11(17)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3.
What are the key properties of 2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanyl-1-phenylethanone?
2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanyl-1-phenylethanone has a molecular weight of 278.34 g/mol, XLogP of 1.29, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanyl-1-phenylethanone is sourced from PubChem (CID 648820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).