4-Chloro-2,5-diphenylthieno[2,3-d]pyrimidine
Basic information
- CAS
83548-63-4- Standard SMILES
Clc1nc(-c2ccccc2)nc2scc(-c3ccccc3)c12- InChIKey
MASLXZNRIFKASA-UHFFFAOYSA-N- Molecular formula
- C18H11ClN2S
- Average molar mass
- 322.8 g/mol
- Monoisotopic mass
- 322.0331472
Names & identifiers
- Preferred name
- 4-Chloro-2,5-diphenylthieno[2,3-d]pyrimidine
- IUPAC
- 4-chloro-2,5-diphenylthieno[2,3-d]pyrimidine
- English name
- 4-Chloro-2,5-diphenylthieno[2,3-d]pyrimidine
- Molecular formula
- C18H11ClN2S
- Molecular weight
- 322.81
Names & synonyms
4-chloro-2,5-diphenylthieno[2,3-d]pyrimidine83548-63-4DTXSID80399787AKOS002433740AS-78448DB-0759464-Chloro-25-diphenylthieno[23-d]pyrimidineST50976637EN300-12516G281934-Chloro-2,5-diphenyl-thieno[2,3-d]pyrimidine4-chloro-2,5-diphenylthiopheno[2,3-d]pyrimidine
Show more names
Thieno[2,3-d]pyrimidine, 4-chloro-2,5-diphenyl-4-Chloro-2,5-diphenylthieno[2,3-d]pyrimidine ,97%4-CHLORO-2,5-DIPHENYLTHIENO[2,3-D]PYRIMIDINE ISO 9001：2015 REACH
Z119989988
Database identifiers
- CAS
83548-63-4- PubChem CID
- 4138693
- DTXSID
DTXSID80399787
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 368
Physicochemical properties
- Melting point
- 145 · 145-147 °C
- Boiling point
- 424.1 · 424.1±37.0 °C(Predicted)
- Density
- 1.333 · 1.333±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 0.18 · 0.18±0.40(Predicted)
- HS Code
- 29335990 · 29335990
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
- hs_code
- 29335990
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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