5-Methyl-1-((4-methylphenyl)sulfonyl)-1H-1,2,3-triazole
Basic information
- CAS
6111-92-8- Standard SMILES
Cc1ccc(S(=O)(=O)n2nncc2C)cc1- InChIKey
VQWZXEHVCUZGMN-UHFFFAOYSA-N- Molecular formula
- C10H11N3O2S
- Average molar mass
- 237.28 g/mol
- Monoisotopic mass
- 237.05719778
Names & identifiers
- Preferred name
- 5-Methyl-1-((4-methylphenyl)sulfonyl)-1H-1,2,3-triazole
- IUPAC
- 5-methyl-1-(4-methylphenyl)sulfonyltriazole
Names & synonyms
5-methyl-1-[(4-methylphenyl)sulfonyl]-1H-1,2,3-triazole6111-92-85-Methyl-1-((4-methylphenyl)sulfonyl)-1H-1,2,3-triazoleRefChem:3039215-methyl-1-(4-methylphenyl)sulfonyltriazoleSCHEMBL11068977AKOS004904324AE-848/32190058
Database identifiers
- CAS
6111-92-8- PubChem CID
- 828073
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 330
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Compound notes
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