1H-Tetrazole, 1-methyl-5-((3-((5-methyl-1,3,4-oxadiazol-2-yl)thio)propyl)thio)-
Basic information
- CAS
80086-85-7- Standard SMILES
Cc1nnc(SCCCSc2nnnn2C)o1- InChIKey
FDGHRMFPJSPQMK-UHFFFAOYSA-N- Molecular formula
- C8H12N6OS2
- Average molar mass
- 272.4 g/mol
- Monoisotopic mass
- 272.05140137
Names & identifiers
- Preferred name
- 1H-Tetrazole, 1-methyl-5-((3-((5-methyl-1,3,4-oxadiazol-2-yl)thio)propyl)thio)-
- IUPAC
- 2-methyl-5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]-1,3,4-oxadiazole
Names & synonyms
80086-85-71-Methyl-5-((3-((5-methyl-1,3,4-oxadiazol-2-yl)thio)propyl)thio)-1H-tetrazole1H-Tetrazole, 1-methyl-5-((3-((5-methyl-1,3,4-oxadiazol-2-yl)thio)propyl)thio)-DTXSID20230069RefChem:240907DTXCID70152560SCHEMBL109751471-Methyl-5-({3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propyl}sulfanyl)-1H-tetrazole
Database identifiers
- CAS
80086-85-7- PubChem CID
- 3061973
- DTXSID
DTXSID20230069
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 236
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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