Basic information
- CAS
51618-40-7- Standard SMILES
Cc1ccc(SSc2nnnn2C)cc1- InChIKey
SPGVBTSNMKDMSL-UHFFFAOYSA-N- Molecular formula
- C9H10N4S2
- Average molar mass
- 238.3 g/mol
- Monoisotopic mass
- 238.03468868
Names & identifiers
- Preferred name
- 1-Methyl-5-((4-methylphenyl)dithio)-1H-tetraazole
- IUPAC
- 1-methyl-5-[(4-methylphenyl)disulfanyl]tetrazole
Names & synonyms
1-Methyl-5-((4-methylphenyl)dithio)-1H-tetraazoleZD3JXY38SW51618-40-7UNII-ZD3JXY38SWNSC 297590NSC-297590DTXSID801995621H-TETRAZOLE, 1-METHYL-5-((4-METHYLPHENYL)DITHIO)-RefChem:76335DTXCID40122053NSC2975901-methyl-5-(p-tolyldisulfanyl)tetrazole
Show more names
1-Methyl-5-[(4-methylphenyl)disulfanyl]-1H-tetrazole4-Methylphenyl 1-methyl-1H-tetraazol-5-yl disulfide
Database identifiers
- CAS
51618-40-7- PubChem CID
- 326375
- DTXSID
DTXSID80199562- UNII
- ZD3JXY38SW
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 94.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 197
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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