1-p-tolyl-1H-tetrazole-5-thiol
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Basic information
- CAS
13980-77-3- Standard SMILES
Cc1ccc(-n2[nH]nnc2=S)cc1- InChIKey
VBCMZLIIYLERKB-UHFFFAOYSA-N- Molecular formula
- C8H8N4S
- Average molar mass
- 192.24 g/mol
- Monoisotopic mass
- 192.04696745
Names & identifiers
- Preferred name
- 1-p-tolyl-1H-tetrazole-5-thiol
- IUPAC
- 1-(4-methylphenyl)-2H-tetrazole-5-thione
- English name
- 1-P-TOLYL-1H-TETRAZOLE-5-THIOL
- Molecular formula
- C8H8N4S
- Molecular weight
- 192.24
Names & synonyms
13980-77-31-p-tolyl-1H-tetrazole-5-thiol1-(4-methylphenyl)-1H-1,2,3,4-tetrazole-5-thiolMFCD004989831-(4-methylphenyl)-2H-tetrazole-5-thione5H-Tetrazole-5-thione, 1,2-dihydro-1-(4-methylphenyl)-1-(4-methylphenyl)-2,5-dihydro-1H-1,2,3,4-tetrazole-5-thione1-(p-Tolyl)-1H-tetrazole-5-thiol1-(p-tolyl)tetrazole-5-thiolCHEMBL389913SCHEMBL6264097DTXSID00359429
Show more names
5H-Tetrazole-5-thione
NAA98077STL1992361-(p-tolyl)-2H-tetrazole-5-thioneAKOS000116393AKOS000347993SY1326041-(4-methylphenyl)-1H-tetrazole-5-thiolCS-0219174
Database identifiers
- CAS
13980-77-3- PubChem CID
- 963036
- DTXSID
DTXSID00359429- ChEMBL
CHEMBL389913- EC Number
- 880-733-8
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 232
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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