1H-Isoindole-1,3(2H)-dione, 2-[[(1-phenyl-1H-tetrazol-5-yl)thio]methyl]-

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Basic information

CAS: 83307-97-5
Standard SMILES: O=C1c2ccccc2C(=O)N1CSc1nnnn1-c1ccccc1
InChIKey: QEYKHGJBUOQEEV-UHFFFAOYSA-N
Molecular formula: C16H11N5O2S
Average molar mass: 337.4 g/mol
Monoisotopic mass: 337.06334578

Names & identifiers

Preferred name: 1H-Isoindole-1,3(2H)-dione, 2-[[(1-phenyl-1H-tetrazol-5-yl)thio]methyl]-
IUPAC: 2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]isoindole-1,3-dione

Names & synonyms

83307-97-51H-Isoindole-1,3(2H)-dione, 2-[[(1-phenyl-1H-tetrazol-5-yl)thio]methyl]-2-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-1H-isoindole-1,3(2H)-dioneMLS000111829HMS2403I182-[(1-phenyltetrazol-5-yl)sulfanylmethyl]isoindole-1,3-dioneCHEMBL1496119SCHEMBL10814293DTXSID60355361QEYKHGJBUOQEEV-UHFFFAOYSA-NSTK125782AKOS005401803

Show more names

SMR000107748EU-00437585-Phthalimidomethylthio-1-phenyl-1H-tetrazoleSR-01000482508SR-01000482508-12-{[(1-phenyl-1H-tetrazol-5-yl)thio]methyl}-1H-isoindole-1,3(2H)-dione

Database identifiers

CAS: 83307-97-5
PubChem CID: 797479
DTXSID: DTXSID60355361
ChEMBL: CHEMBL1496119

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 106 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 24
Formal charge: 0
Complexity: 475

Related reactions

1 records

New reaction record

HRID 1703046As productuspto-grants-1982_09

Compound notes

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