1-Phenyl-5-[3-(1-phenyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole

HCID 3948596

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Basic information

CAS: 80085-70-7
Standard SMILES: c1ccc(-n2nnnc2SCCCSc2nnnn2-c2ccccc2)cc1
InChIKey: IAJFHEIRTITAHG-UHFFFAOYSA-N
Molecular formula: C17H16N8S2
Average molar mass: 396.5 g/mol
Monoisotopic mass: 396.09393489

Names & identifiers

Preferred name: 1-Phenyl-5-[3-(1-phenyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
IUPAC: 1-phenyl-5-[3-(1-phenyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole

Names & synonyms

80085-70-71-phenyl-5-[3-(1-phenyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole1-phenyl-5-({3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl}sulfanyl)-1H-1,2,3,4-tetrazoleSCHEMBL10973042DTXSID00398171AKOS0347196611,3-bis(1-phenyl-1H-tetrazol-5-ylthio)propaneT61383141,3-Bis(1-phenyl-1H-tetrazole-5-ylsulfanyl)propaneZ945616895,5'-[Propane-1,3-diylbis(sulfanediyl)]bis(1-phenyl-1H-tetrazole)

Database identifiers

CAS: 80085-70-7
PubChem CID: 3948596
DTXSID: DTXSID00398171
Nikkaji: J834.051J

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 138 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 8
Heavy atoms: 27
Formal charge: 0
Complexity: 395

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