Basic information
- CAS
36822-09-0- Standard SMILES
Clc1ncnc2c1sc1ccccc12- InChIKey
GRJAFENSUSLYET-UHFFFAOYSA-N- Molecular formula
- C10H5ClN2S
- Average molar mass
- 220.68 g/mol
- Monoisotopic mass
- 219.98619684
Names & identifiers
- Preferred name
- 4-Chloro(1)benzothieno(3,2-d)pyrimidine
- IUPAC
- 4-chloro-[1]benzothiolo[3,2-d]pyrimidine
- English name
- 4-chlorobenzo[4,5]thieno[3,2-d]pyrimidine
- Molecular formula
- C10H5ClN2S
- Molecular weight
- 220.68
Names & synonyms
36822-09-04-chloro[1]benzothieno[3,2-d]pyrimidine4-Chloro(1)benzothieno(3,2-d)pyrimidineRefChem:2912394-CHLOROBENZO[4,5]THIENO[3,2-D]PYRIMIDINE4-chloro-[1]benzothiolo[3,2-d]pyrimidine[1]Benzothieno[3,2-d]pyrimidine, 4-chloro-MFCD01830285SCHEMBL7215827GRJAFENSUSLYET-UHFFFAOYSA-NDTXSID201279098SBB096063
Show more names
4-Chlorobenzothieno[3,2-d]pyrimidineAKOS0267070854-chlorobenzothiopheno[3,2-d]pyrimidineBS-50465SY4631834-chloro-[1]benzothieno[3,2-d]pyrimidine4-chlorobenzo[b]thiopheno[3,2-d]pyrimidineDB-128869
Database identifiers
- CAS
36822-09-0- PubChem CID
- 821835
- DTXSID
DTXSID201279098
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Boiling point
- 389.6 · 389.6±22.0 °C(Predicted)
- Density
- 1.516 · 1.516±0.06 g/cm3(Predicted)
- pka
- 0.5 · 0.50±0.40(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 data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers15 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
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Related reactions
5 records
Compound notes
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