Basic information
- CAS
883523-03-3- Standard SMILES
COc1cc2cc(OC)c(SCCCCCCCCCCCCBr)cc2cc1SCCCCCCCCCCCCBr- InChIKey
DRHSTALLYCIUIL-UHFFFAOYSA-N- Molecular formula
- C36H58Br2O2S2
- Average molar mass
- 746.8 g/mol
- Monoisotopic mass
- 744.2245
Names & identifiers
- Preferred name
- 2,7-Dimethoxy-3,6-bis(12-bromododecylthio)-naphthalene
- IUPAC
- 2,7-bis(12-bromododecylsulfanyl)-3,6-dimethoxynaphthalene
- English name
- 2,7-Dimethoxy-3,6-bis(12-bromododecylthio)-naphthalene
- Molecular formula
- C36H58Br2O2S2
- Molecular weight
- 746.78
Names & synonyms
2,7-Dimethoxy-3,6-bis(12-bromododecylthio)-naphthalene883523-03-32,7-bis(12-bromododecylsulfanyl)-3,6-dimethoxynaphthalene2,7-bis[(12-bromododecyl)sulfanyl]-3,6-dimethoxynaphthaleneDTXSID101206606AKOS0158522972,7-Bis[(12-bromododecyl)thio]-3,6-dimethoxynaphthaleneNaphthalene, 2,7-bis[(12-bromododecyl)thio]-3,6-dimethoxy-
Database identifiers
- CAS
883523-03-3- PubChem CID
- 45075149
- DTXSID
DTXSID101206606
Properties
Computed structural properties
- XLogP
- 15
- Topological polar surface area
- 69.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 28
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 551
Physicochemical properties
- Boiling point
- 741.7 · 741.7±60.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers4 total
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
MATRIX[email protected]
SYNTASTIC[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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