1-(2,4-dihydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone

C15H12N4O3S — CID 2415979

IUPAC1-(2,4-dihydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
SMILESO=C(CSc1nnnn1-c1ccccc1)c1ccc(O)cc1O
InChIInChI=1S/C15H12N4O3S/c20-11-6-7-12(13(21)8-11)14(22)9-23-15-16-17-18-19(15)10-4-2-1-3-5-10/h1-8,20-21H,9H2
InChIKeyJELSOITVJDFTAS-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.05
Rot. Bonds5

About 1-(2,4-dihydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone

1-(2,4-dihydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone (PubChem CID 2415979) has the molecular formula C15H12N4O3S and a molecular weight of 328.35 g/mol. Its IUPAC name is 1-(2,4-dihydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(2,4-dihydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
PubChem CID2415979
Molecular FormulaC15H12N4O3S
Molecular Weight328.35 g/mol
Exact Mass328.06
IUPAC Name1-(2,4-dihydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
SMILESO=C(CSc1nnnn1-c1ccccc1)c1ccc(O)cc1O
InChIInChI=1S/C15H12N4O3S/c20-11-6-7-12(13(21)8-11)14(22)9-23-15-16-17-18-19(15)10-4-2-1-3-5-10/h1-8,20-21H,9H2
InChIKeyJELSOITVJDFTAS-UHFFFAOYSA-N
XLogP2.05
TPSA101.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-fluorophenyl)-2-(1-(4-hydroxyphenyl)-1H-tetrazol-5-ylthio)ethanone
CID 2809808
1-(3,4-Dihydroxyphenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylethanone
CID 713665
1-(2,4-Dihydroxyphenyl)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 2648804
1-(2,4-Dihydroxyphenyl)-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 2648827
1-[1-(4-Hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-phenylpropan-2-one
CID 4968520
1-(3,4-Dihydroxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 946537
1-(2,4-Dihydroxyphenyl)-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 2648799
1-[3-[[1-(4-Hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone
CID 4882191
2,4-dihydroxy-N'-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]benzohydrazide
CID 3115405
1-(4-Hydroxy-phenyl)-2-(1-p-tolyl-1H-tetrazol-5-ylsulfanyl)-ethanone
CID 578393
1-(2,4-Dihydroxyphenyl)-2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 4790119
Cambridge id 6996110
CID 2296263

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
The IUPAC name of 1-(2,4-dihydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone (CID 2415979) is 1-(2,4-dihydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone.
What is the SMILES notation for 1-(2,4-dihydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
The canonical SMILES for 1-(2,4-dihydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone is O=C(CSc1nnnn1-c1ccccc1)c1ccc(O)cc1O.
What is the InChIKey of 1-(2,4-dihydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
The InChIKey is JELSOITVJDFTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3S/c20-11-6-7-12(13(21)8-11)14(22)9-23-15-16-17-18-19(15)10-4-2-1-3-5-10/h1-8,20-21H,9H2.
What are the key properties of 1-(2,4-dihydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
1-(2,4-dihydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone has a molecular weight of 328.35 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone is sourced from PubChem (CID 2415979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).