Basic information
- CAS
110230-97-2- Standard SMILES
N#Cc1ccc(-c2ccc(-c3cccs3)s2)s1- InChIKey
YXNZJCUXYIKKRE-UHFFFAOYSA-N- Molecular formula
- C13H7NS3
- Average molar mass
- 273.4 g/mol
- Monoisotopic mass
- 272.97406222
Names & identifiers
- Preferred name
- (2,2':5',2''-Terthiophenyl)-5-carbonitrile
- IUPAC
- 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carbonitrile
- English name
- 2,2':5',2''-Terthiophene-5-carbonitrile
- Molecular formula
- C13H7NS3
- Molecular weight
- 273.4
Names & synonyms
110230-97-2(2,2':5',2''-Terthiophenyl)-5-carbonitrileDTXSID80149183RefChem:205314DTXCID5071674[2,2':5',2''-Terthiophene]-5-carbonitrile5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carbonitrileMFCD125470195-{[2,2'-bithiophen]-5-yl}thiophene-2-carbonitrile5-{[2,2'-bithiophene]-5-yl}thiophene-2-carbonitrile5-[5-(thiophen-2-yl)thiophen-2-yl]thiophene-2-carbonitrile(2,2':5',2''-Terthiophene)-5-carbonitrile
Show more names
S05125-{[2,2-bithiophene]-5-yl}thiophene-2-carbonitrile
5-[5-(2-thienyl)-2-thienyl]thiophene-2-carbonitrile.alpha.-T CN deriv.2,2':5',2''-Terthiophene-5-carbonitrileSCHEMBL498818C13H7NS3CHEMBL330748SCHEMBL9777514YXNZJCUXYIKKRE-UHFFFAOYSA-N
Database identifiers
- CAS
110230-97-2- PubChem CID
- 184181
- DTXSID
DTXSID80149183- ChEMBL
CHEMBL330748- Nikkaji
- J394.596K
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 324
Physicochemical properties
- Melting point
- 104 · 104-105 °C
- Boiling point
- 420.1 · 420.1±45.0 °C(Predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers3 total
郑州汇聚化工有限公司0371-55900031 18137872243 · [email protected]
郑州艾克姆化工有限公司0371-63315541 13323832564 · [email protected]
北京奥格泰克科技有限公司010-89719903 18511074324;18511074324 · [email protected]
Related reactions
6 records
Compound notes
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