1-(9H-fluoren-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone

C22H16N4OS — CID 606333

IUPAC1-(9H-fluoren-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
SMILESO=C(CSc1nnnn1-c1ccccc1)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C22H16N4OS/c27-21(14-28-22-23-24-25-26(22)18-7-2-1-3-8-18)16-10-11-20-17(13-16)12-15-6-4-5-9-19(15)20/h1-11,13H,12,14H2
InChIKeyCVAWVTHMJIBAGD-UHFFFAOYSA-N
MW384.46 g/mol
LogP4.21
Rot. Bonds5

About 1-(9H-fluoren-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone

1-(9H-fluoren-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone (PubChem CID 606333) has the molecular formula C22H16N4OS and a molecular weight of 384.46 g/mol. Its IUPAC name is 1-(9H-fluoren-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(9H-fluoren-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
PubChem CID606333
Molecular FormulaC22H16N4OS
Molecular Weight384.46 g/mol
Exact Mass384.10
IUPAC Name1-(9H-fluoren-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
SMILESO=C(CSc1nnnn1-c1ccccc1)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C22H16N4OS/c27-21(14-28-22-23-24-25-26(22)18-7-2-1-3-8-18)16-10-11-20-17(13-16)12-15-6-4-5-9-19(15)20/h1-11,13H,12,14H2
InChIKeyCVAWVTHMJIBAGD-UHFFFAOYSA-N
XLogP4.21
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
The IUPAC name of 1-(9H-fluoren-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone (CID 606333) is 1-(9H-fluoren-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone.
What is the SMILES notation for 1-(9H-fluoren-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
The canonical SMILES for 1-(9H-fluoren-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone is O=C(CSc1nnnn1-c1ccccc1)c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 1-(9H-fluoren-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
The InChIKey is CVAWVTHMJIBAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4OS/c27-21(14-28-22-23-24-25-26(22)18-7-2-1-3-8-18)16-10-11-20-17(13-16)12-15-6-4-5-9-19(15)20/h1-11,13H,12,14H2.
What are the key properties of 1-(9H-fluoren-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
1-(9H-fluoren-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone has a molecular weight of 384.46 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone is sourced from PubChem (CID 606333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).