1,2,3-Benzenetriamine, N2,N2-bis(1-methylethyl)-5-(methylthio)-
Basic information
- CAS
27629-23-8- Standard SMILES
CSc1cc(N)c(N(C(C)C)C(C)C)c(N)c1- InChIKey
VVCPWNRJFPRCBW-UHFFFAOYSA-N- Molecular formula
- C13H23N3S
- Average molar mass
- 253.41 g/mol
- Monoisotopic mass
- 253.16126892
Names & identifiers
- Preferred name
- 1,2,3-Benzenetriamine, N2,N2-bis(1-methylethyl)-5-(methylthio)-
- IUPAC
- 5-methylsulfanyl-2-N,2-N-di(propan-2-yl)benzene-1,2,3-triamine
Names & synonyms
27629-23-81,2,3-Benzenetriamine, N2,N2-bis(1-methylethyl)-5-(methylthio)-DTXSID109502895-(Methylsulfanyl)-N~2~,N~2~-di(propan-2-yl)benzene-1,2,3-triamine
Database identifiers
- CAS
27629-23-8- PubChem CID
- 186115
- DTXSID
DTXSID10950289
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 213
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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