Basic information
- CAS
332906-73-7- Standard SMILES
Cc1ccc(-n2nnnc2-c2cccs2)cc1[N+](=O)[O-]- InChIKey
YDSJHNJAUCULRP-UHFFFAOYSA-N- Molecular formula
- C12H9N5O2S
- Average molar mass
- 287.3 g/mol
- Monoisotopic mass
- 287.04769572
Names & identifiers
- Preferred name
- 1-(4-Methyl-3-nitrophenyl)-5-(2-thienyl)-1H-tetrazole
- IUPAC
- 1-(4-methyl-3-nitrophenyl)-5-thiophen-2-yltetrazole
Names & synonyms
1-(4-methyl-3-nitrophenyl)-5-(2-thienyl)-1H-tetrazole332906-73-7RefChem:225412Oprea1_608161Oprea1_836792MLS001077168CHEMBL2358188DTXSID701214704HMS2796P06AKOS000578134SMR000472951ST51173194
Show more names
AG-690/406964611-{3-nitro-4-methylphenyl}-5-thien-2-yl-1H-tetraazole1-(4-Methyl-3-nitrophenyl)-5-(thiophen-2-yl)-1H-tetrazole1-(4-METHYL-3-NITROPHENYL)-5-(THIOPHEN-2-YL)-1,2,3,4-TETRAZOLE
Database identifiers
- CAS
332906-73-7- PubChem CID
- 855997
- DTXSID
DTXSID701214704- ChEMBL
CHEMBL2358188
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 366
Experimental & physicochemical properties
Solubility3.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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