3-(1-phenyltetrazol-5-yl)sulfanyloxolan-2-one

C11H10N4O2S — CID 2948751

IUPAC3-(1-phenyltetrazol-5-yl)sulfanyloxolan-2-one
SMILESO=C1OCCC1Sc1nnnn1-c1ccccc1
InChIInChI=1S/C11H10N4O2S/c16-10-9(6-7-17-10)18-11-12-13-14-15(11)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyIPAZIKZSNCFZNP-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.07
Rot. Bonds3

About 3-(1-phenyltetrazol-5-yl)sulfanyloxolan-2-one

3-(1-phenyltetrazol-5-yl)sulfanyloxolan-2-one (PubChem CID 2948751) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is 3-(1-phenyltetrazol-5-yl)sulfanyloxolan-2-one.

Molecular Properties

Compound Name3-(1-phenyltetrazol-5-yl)sulfanyloxolan-2-one
PubChem CID2948751
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC Name3-(1-phenyltetrazol-5-yl)sulfanyloxolan-2-one
SMILESO=C1OCCC1Sc1nnnn1-c1ccccc1
InChIInChI=1S/C11H10N4O2S/c16-10-9(6-7-17-10)18-11-12-13-14-15(11)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyIPAZIKZSNCFZNP-UHFFFAOYSA-N
XLogP1.07
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1-phenyltetrazol-5-yl)sulfanyloxolan-2-one?
The IUPAC name of 3-(1-phenyltetrazol-5-yl)sulfanyloxolan-2-one (CID 2948751) is 3-(1-phenyltetrazol-5-yl)sulfanyloxolan-2-one.
What is the SMILES notation for 3-(1-phenyltetrazol-5-yl)sulfanyloxolan-2-one?
The canonical SMILES for 3-(1-phenyltetrazol-5-yl)sulfanyloxolan-2-one is O=C1OCCC1Sc1nnnn1-c1ccccc1.
What is the InChIKey of 3-(1-phenyltetrazol-5-yl)sulfanyloxolan-2-one?
The InChIKey is IPAZIKZSNCFZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S/c16-10-9(6-7-17-10)18-11-12-13-14-15(11)8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of 3-(1-phenyltetrazol-5-yl)sulfanyloxolan-2-one?
3-(1-phenyltetrazol-5-yl)sulfanyloxolan-2-one has a molecular weight of 262.29 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenyltetrazol-5-yl)sulfanyloxolan-2-one is sourced from PubChem (CID 2948751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).