Basic information
- CAS
53915-72-3- Standard SMILES
CC(C)(C)CC(C)(C)c1ccc2c(c1)Nc1ccc(C(C)(C)CC(C)(C)C)cc1S2- InChIKey
ZXHLKLXHFDXLCW-UHFFFAOYSA-N- Molecular formula
- C28H41NS
- Average molar mass
- 423.7 g/mol
- Monoisotopic mass
- 423.29597149
Names & identifiers
- Preferred name
- 2,7-Bis(1,1,3,3-tetramethylbutyl)-10H-phenothiazine
- IUPAC
- 2,7-bis(2,4,4-trimethylpentan-2-yl)-10H-phenothiazine
- English name
- 2,7-bis(1,1,3,3-tetramethylbutyl)-10H-phenothiazine
- Molecular formula
- C28H41NS
- Molecular weight
- 423.7
Names & synonyms
53915-72-32,7-Bis(1,1,3,3-tetramethylbutyl)-10H-phenothiazineEINECS 258-861-5DTXSID90202197RefChem:83397DTXCID90124688258-861-510h-phenothiazine, 2,7-bis(1,1,3,3-tetramethylbutyl)-2,7-bis(2,4,4-trimethylpentan-2-yl)-10H-phenothiazineHKM9W3SW9SZXHLKLXHFDXLCW-UHFFFAOYSA-NNS00032874
Database identifiers
- CAS
53915-72-3- PubChem CID
- 104641
- DTXSID
DTXSID90202197- UNII
- HKM9W3SW9S
- EC Number
- 258-861-5
- Nikkaji
- J279.536A
Properties
Computed structural properties
- XLogP
- 10.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 578
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 10H-Phenothiazine, 2,7-bis(1,1,3,3-tetramethylbutyl)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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