Dinaphtho(2,1-b:1',2'-d)thiophene
Basic information
- CAS
194-65-0- Standard SMILES
c1ccc2c(c1)ccc1sc3ccc4ccccc4c3c12- InChIKey
JFNCOYXPHARAMI-UHFFFAOYSA-N- Molecular formula
- C20H12S
- Average molar mass
- 284.4 g/mol
- Monoisotopic mass
- 284.06597156
Names & identifiers
- Preferred name
- Dinaphtho(2,1-b:1',2'-d)thiophene
- IUPAC
- 12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
- English name
- DINAPHTHO[2,1-B:1',2'-D]THIOPHENE
- Molecular formula
- C20H12S
- Molecular weight
- 284.37
Names & synonyms
Dinaphtho[2,1-b:1',2'-d]thiophene194-65-01,1'-BinaphthothiopheneDinaphtho(2,1-b:1',2'-d)thiopheneNaphtho(2,1-b)naphtho(1,2-d)thiopheneDTXSID10173017RefChem:134428DTXCID4095508JFNCOYXPHARAMI-UHFFFAOYSA-NDINAPHTHO[2,1-B12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenedinaphthothi-ophene
Show more names
1',2-d]thiophene
SCHEMBL13250616SCHEMBL30062535Dinaphtho[2,1-b;1,2-d]thiopheneDinaphtho[2,1-b:1,2-d]thiophene #Dinaphtho[2,1-b;1',2'-d]thiophene"DB-213605147923-24-8
Database identifiers
- CAS
194-65-0- PubChem CID
- 67452
- DTXSID
DTXSID10173017- Nikkaji
- J109.864K
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 355
Physicochemical properties
- Melting point
- 208 · 208-209 °C
- Boiling point
- 523.2 · 523.2±19.0 °C(Predicted)
- Density
- 1.32 · 1.320±0.06 g/cm3(Predicted)
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 InformationDinaphtho[2,1-b:1',2'-d]thiophene: Does not have an individual approval but may be used under an appropriate group standard
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Related reactions
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Compound notes
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