1-(2,4-Dichlorophenyl)-1,2-dihydro-5H-tetrazole-5-thione
Basic information
- CAS
7025-15-2- Standard SMILES
S=c1nn[nH]n1-c1ccc(Cl)cc1Cl- InChIKey
KNXXWYFEFQMLGP-UHFFFAOYSA-N- Molecular formula
- C7H4Cl2N4S
- Average molar mass
- 247.1 g/mol
- Monoisotopic mass
- 245.9533727
Names & identifiers
- Preferred name
- 1-(2,4-Dichlorophenyl)-1,2-dihydro-5H-tetrazole-5-thione
- IUPAC
- 1-(2,4-dichlorophenyl)-2H-tetrazole-5-thione
Names & synonyms
7025-15-21-(2,4-dichlorophenyl)-2H-tetrazole-5-thione1-(2,4-Dichlorophenyl)-1,2-dihydro-5H-tetrazole-5-thioneNSC5097081-(2,4-Dichlorophenyl)-1H-tetrazole-5-thiolSCHEMBL1249223SCHEMBL8656100SCHEMBL30620395DTXSID20369707CCG-244630NSC-509708SY352832
Database identifiers
- CAS
7025-15-2- PubChem CID
- 2732008
- DTXSID
DTXSID20369707
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 272
Experimental & physicochemical properties
LogP2.89
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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