Basic information
- CAS
477335-02-7- Standard SMILES
CCCCCCCCCCc1cc(-c2cccs2)sc1-c1ccc(Br)s1- InChIKey
LHZNRGNRMWICSY-UHFFFAOYSA-N- Molecular formula
- C22H27BrS3
- Average molar mass
- 467.6 g/mol
- Monoisotopic mass
- 466.04583
Names & identifiers
- Preferred name
- 5-Bromo-3'-decyl-2,2':5',2''-terthiophene
- IUPAC
- 2-(5-bromothiophen-2-yl)-3-decyl-5-thiophen-2-ylthiophene
- English name
- 5-Bromo-3'-decyl-2,2':5',2''-terthiophene
- Molecular formula
- C22H27BrS3
- Molecular weight
- 467.55
Names & synonyms
477335-02-75-bromo-3'-decyl-2,2':5',2''-terthiophene2-(5-bromothiophen-2-yl)-3-decyl-5-thiophen-2-ylthiophene5-bromo-3-decyl-2,2:5,2-terthiopheneDTXSID903951545-BROMO-3'-DECYL-2,2'AKOS0158356061~5~-Bromo-2~3~-decyl-1~2~,2~2~:2~5~,3~2~-terthiophene5-bromo-3'-decyl[2,2'5-BROMO-3'-DECYL-2,2',5',2''-TERTHIOPHENE2,2':5',2''-Terthiophene, 5-bromo-3'-decyl-5-Bromo-3′-decyl-2,2′:5′,2′′-terthiophene, CAS 477335-02-7
Database identifiers
- CAS
477335-02-7- PubChem CID
- 3694634
- DTXSID
DTXSID90395154- Nikkaji
- J1.778.258D
Properties
Computed structural properties
- XLogP
- 10.5
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 392
Physicochemical properties
- 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
Suppliers1 total
Clearsynth Labs Limited+91-22-26355700 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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