1H-1,2,3-Triazole, 1-methyl-4-methylthio-
Basic information
- CAS
36811-14-0- Standard SMILES
CSc1cn(C)nn1- InChIKey
BJRWMMHTDVXOJK-UHFFFAOYSA-N- Molecular formula
- C4H7N3S
- Average molar mass
- 129.19 g/mol
- Monoisotopic mass
- 129.03606841
Names & identifiers
- Preferred name
- 1H-1,2,3-Triazole, 1-methyl-4-methylthio-
- IUPAC
- 1-methyl-4-methylsulfanyltriazole
Names & synonyms
36811-14-01H-1,2,3-Triazole, 1-methyl-4-methylthio-1-Methyl-4-methylthiotriazoleSCHEMBL10401819SCHEMBL10401820DTXSID509580221-Methyl-4-(methylsulfanyl)-1H-1,2,3-triazole
Database identifiers
- CAS
36811-14-0- PubChem CID
- 142109
- DTXSID
DTXSID50958022
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 56 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 77.7
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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