5-(1,4-dioxaspiro[4.5]dec-8-ylmethylsulfanyl)-1-phenyl-1H-tetrazole

HCID 67334530

Notes Reactions

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Basic information

Standard SMILES: c1ccc(-n2nnnc2SCC2CCC3(CC2)OCCO3)cc1
InChIKey: BARIJWDUNHINRI-UHFFFAOYSA-N
Molecular formula: C16H20N4O2S
Average molar mass: 332.4 g/mol

Names & identifiers

Preferred name: 5-(1,4-dioxaspiro[4.5]dec-8-ylmethylsulfanyl)-1-phenyl-1H-tetrazole
IUPAC: 5-(1,4-dioxaspiro[4.5]decan-8-ylmethylsulfanyl)-1-phenyltetrazole

Names & synonyms

5-(1,4-dioxaspiro[4.5]dec-8-ylmethylsulfanyl)-1-phenyl-1H-tetrazole1010815-07-2SCHEMBL2250685BARIJWDUNHINRI-UHFFFAOYSA-NDB-3495585-(1,4-dioxa-spiro[4.5]dec-8-ylmethylsulfanyl)-1-phenyl-1H-tetrazole

Database identifiers

PubChem CID: 67334530

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 87.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 378

Related reactions

2 records

New reaction record

HRID 686343As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1673198As productuspto-grants-2011_08

Compound notes

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