1-(4-phenylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone

C21H16N4OS — CID 1180767

IUPAC1-(4-phenylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
SMILESO=C(CSc1nnnn1-c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H16N4OS/c26-20(18-13-11-17(12-14-18)16-7-3-1-4-8-16)15-27-21-22-23-24-25(21)19-9-5-2-6-10-19/h1-14H,15H2
InChIKeyFKUGUTWRIYZHJG-UHFFFAOYSA-N
MW372.45 g/mol
LogP4.30
Rot. Bonds6

About 1-(4-phenylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone

1-(4-phenylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone (PubChem CID 1180767) has the molecular formula C21H16N4OS and a molecular weight of 372.45 g/mol. Its IUPAC name is 1-(4-phenylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(4-phenylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
PubChem CID1180767
Molecular FormulaC21H16N4OS
Molecular Weight372.45 g/mol
Exact Mass372.10
IUPAC Name1-(4-phenylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
SMILESO=C(CSc1nnnn1-c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H16N4OS/c26-20(18-13-11-17(12-14-18)16-7-3-1-4-8-16)15-27-21-22-23-24-25(21)19-9-5-2-6-10-19/h1-14H,15H2
InChIKeyFKUGUTWRIYZHJG-UHFFFAOYSA-N
XLogP4.30
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
The IUPAC name of 1-(4-phenylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone (CID 1180767) is 1-(4-phenylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone.
What is the SMILES notation for 1-(4-phenylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
The canonical SMILES for 1-(4-phenylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone is O=C(CSc1nnnn1-c1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
The InChIKey is FKUGUTWRIYZHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4OS/c26-20(18-13-11-17(12-14-18)16-7-3-1-4-8-16)15-27-21-22-23-24-25(21)19-9-5-2-6-10-19/h1-14H,15H2.
What are the key properties of 1-(4-phenylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
1-(4-phenylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone has a molecular weight of 372.45 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone is sourced from PubChem (CID 1180767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).