1H-Benzimidazole, 2-(3-thienyl)-
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Basic information
- CAS
3878-21-5- Standard SMILES
c1ccc2[nH]c(-c3ccsc3)nc2c1- InChIKey
FFBNZTSCCCOODY-UHFFFAOYSA-N- Molecular formula
- C11H8N2S
- Average molar mass
- 200.26 g/mol
- Monoisotopic mass
- 200.04081944
Names & identifiers
- Preferred name
- 1H-Benzimidazole, 2-(3-thienyl)-
- IUPAC
- 2-thiophen-3-yl-1H-benzimidazole
- English name
- 1H-Benzimidazole,2-(3-thienyl)-(9CI)
- Molecular formula
- C11H8N2S
- Molecular weight
- 200.26
Names & synonyms
3878-21-52-(thiophen-3-yl)-1H-benzo[d]imidazole1H-Benzimidazole, 2-(3-thienyl)-2-thiophen-3-yl-1H-benzimidazoleBenzimidazole, 2-(3-thienyl)-NSC2905422-(3-Thienyl)benzimidazoleSCHEMBL5539351SCHEMBL5541731SCHEMBL5542508SCHEMBL5543777SCHEMBL9030999
Show more names
2-(3-thienyl)-1H-benzimidazole2-(2-Thienyl)benziMidazole, 97%1H-Benzimidazole,2-(3-thienyl)-(9CI)
DTXSID503149672-(thiophen-3-yl)-1h-benzimidazoleAKOS008956873NSC-2905422-(Thiophen-3-yl)-1H-1,3-benzimidazole
Database identifiers
- CAS
3878-21-5- PubChem CID
- 324550
- DTXSID
DTXSID50314967- Nikkaji
- J2.260.902E
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 56.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Melting point
- 330 · 330-331 °C(Solvent: Isopropanol)
- Boiling point
- 413.795 · 413.795±47.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.336 · 1.336±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.337 · 11.337±0.10(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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