Basic information
- CAS
717831-71-5- Standard SMILES
CSc1ccc(CNc2nnnn2C)cc1- InChIKey
AAIBQKMQSOLWGG-UHFFFAOYSA-N- Molecular formula
- C10H13N5S
- Average molar mass
- 235.31 g/mol
- Monoisotopic mass
- 235.08916661
Names & identifiers
- Preferred name
- 1-methyl-N-[(4-methylsulfanylphenyl)methyl]tetrazol-5-amine
- IUPAC
- 1-methyl-N-[(4-methylsulfanylphenyl)methyl]tetrazol-5-amine
Names & synonyms
1-methyl-N-[(4-methylsulfanylphenyl)methyl]tetrazol-5-amine717831-71-51-methyl-N-[4-(methylthio)benzyl]-1H-tetrazol-5-amine1-methyl-N-(4-(methylthio)benzyl)-1H-tetrazol-5-amineMLS000676082CHEMBL1710299DTXSID401325203HMS2731C05STK511323AKOS000284658SMR000296325AN-465/42886652
Show more names
SR-01000295914SR-01000295914-11-methyl-N-[4-(methylsulfanyl)benzyl]-1H-tetrazol-5-amine1-Methyl-N-{[4-(methylsulfanyl)phenyl]methyl}-1H-tetrazol-5-amineN-[4-(methylsulfanyl)benzyl]-N-(1-methyl-1H-tetraazol-5-yl)amine
Database identifiers
- CAS
717831-71-5- PubChem CID
- 834587
- DTXSID
DTXSID401325203- ChEMBL
CHEMBL1710299
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 207
Experimental & physicochemical properties
Solubility23.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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