3-Phenylthiophene
Basic information
- CAS
2404-87-7- Standard SMILES
c1ccc(-c2ccsc2)cc1- InChIKey
ZDQZVKVIYAPRON-UHFFFAOYSA-N- Molecular formula
- C10H8S
- Average molar mass
- 160.24 g/mol
- Monoisotopic mass
- 160.03467126
Names & identifiers
- Preferred name
- 3-Phenylthiophene
- IUPAC
- 3-phenylthiophene
- English name
- 3-PHENYLTHIOPHENE
- Molecular formula
- C10H8S
- Molecular weight
- 160.24
Names & synonyms
3-Phenylthiophene2404-87-7Thiophene, 3-phenyl-HFB27SS2KMEINECS 219-297-5NSC-229334ZDQZVKVIYAPRON-UHFFFAOYSA-DTXSID90178787NSC 229334RefChem:95360DTXCID50101278219-297-5
Show more names
Phenylthiophene3-Phenylthiophene>3-PHENYLTHIOPHEN 95%3-PHENYLTHIOPHENE 95+%3-Phenylthiophene in isooctane3-PHENYLTHIOPHENE ISO 9001：2015 REACHN-[9-chloro-2-(2-furanyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2-phenylacetamide
InChI=1/C10H8S/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-8HZDQZVKVIYAPRON-UHFFFAOYSA-NMFCD0011499795831-29-13-phenyl-thiopheneNSC2293343-Phenylthiophene>3-Phenylthiophene 95%
Database identifiers
- CAS
2404-87-7- PubChem CID
- 75473
- DTXSID
DTXSID90178787- ChEMBL
CHEMBL386250- UNII
- HFB27SS2KM
- EC Number
- 219-297-5
- Nikkaji
- J113.383G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Melting point
- 90 · 90-93 °C (lit.)
- Boiling point
- 256 °C · 256 °C
- storage temp.
- 2 · 2-8°C
- form
- powder to crystal
- color
- White to Almost white
- InChI
- 1S/C10H8S/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-8H
- InChIKey
- ZDQZVKVIYAPRON-UHFFFAOYSA-N
- SMILES
- c1ccc(cc1)-c2ccsc2
- CAS DataBase Reference
- 2404 · 2404-87-7(CAS DataBase Reference)
- FDA UNII
- 27 SS2KM · HFB27SS2KM
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 23 · NA.23
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- HS Code
- 2930.2 · 2930.20.2050
- Storage Class
- 11 · 11 - Combustible Solids
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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 2930.20.2050
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesConducting polymer precursor.
Suppliers
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Related reactions
6 records
Compound notes
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