Basic information
- CAS
80087-46-3- Standard SMILES
Cn1nnnc1SCCCC(=O)c1cccs1- InChIKey
OMWWJHVYRYUDQO-UHFFFAOYSA-N- Molecular formula
- C10H12N4OS2
- Average molar mass
- 268.4 g/mol
- Monoisotopic mass
- 268.04525337
Names & identifiers
- Preferred name
- 1-Butanone, 4-((1-methyl-1H-tetrazol-5-yl)thio)-1-(2-thienyl)-
- IUPAC
- 4-(1-methyltetrazol-5-yl)sulfanyl-1-thiophen-2-ylbutan-1-one
Names & synonyms
80087-46-31-Butanone, 4-((1-methyl-1H-tetrazol-5-yl)thio)-1-(2-thienyl)-1-Methyl-5-(3-(2-thenoyl)propyl)thio-1,2,3,4-tetrazole4-((1-Methyl-1H-tetrazol-5-yl)thio)-1-(2-thienyl)-1-butanoneDTXSID70230074RefChem:228902DTXCID70152565SCHEMBL10974275AKOS0089054174-[(1-Methyl-1H-tetrazol-5-yl)sulfanyl]-1-(thiophen-2-yl)butan-1-one
Database identifiers
- CAS
80087-46-3- PubChem CID
- 3061978
- DTXSID
DTXSID70230074
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 267
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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