Basic information
- CAS
52416-14-5- Standard SMILES
CSc1cccc(N=NN(C)C)c1- InChIKey
CWWODDIXPTUZOV-UHFFFAOYSA-N- Molecular formula
- C9H13N3S
- Average molar mass
- 195.29 g/mol
- Monoisotopic mass
- 195.0830186
Names & identifiers
- Preferred name
- 3,3-Dimethyl-1-(m-methylthiophenyl)triazene
- IUPAC
- N-methyl-N-[(3-methylsulfanylphenyl)diazenyl]methanamine
- English name
- 3,3-Dimethyl-1-[3-(methylthio)phenyl]triazene
- Molecular formula
- C9H13N3S
- Molecular weight
- 195.28
Names & synonyms
52416-14-53,3-Dimethyl-1-(m-methylthiophenyl)triazeneBRN 1841596(1e)-3,3-dimethyl-1-[3-(methylsulfanyl)phenyl]triaz-1-ene3,3-Dimethyl-1-(3-methylthiophenyl)triazeneTriazene, 3,3-dimethyl-1-(m-methylthiophenyl)-3,3-Dimethyl-1-[3-(methylthio)phenyl]triazeneDTXSID90879565DB-2284331-(3-THIOANISYL)-33-DIME TRIAZINE1-Triazene, 3,3-dimethyl-1-[3-(methylthio)phenyl]-
Database identifiers
- CAS
52416-14-5- PubChem CID
- 104192
- DTXSID
DTXSID90879565- Nikkaji
- J92.214E
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 170
Experimental & physicochemical properties
LogP2.98
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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