Basic information
- CAS
379247-04-8- Standard SMILES
Nn1cnc2scc(-c3ccco3)c2c1=O- InChIKey
WYCWMBNIYAEFFF-UHFFFAOYSA-N- Molecular formula
- C10H7N3O2S
- Average molar mass
- 233.25 g/mol
- Monoisotopic mass
- 233.02589765
Names & identifiers
- Preferred name
- 3-amino-5-(2-furyl)thieno[2,3-d]pyrimidin-4(3H)-one
- IUPAC
- 3-amino-5-(furan-2-yl)thieno[2,3-d]pyrimidin-4-one
- English name
- 3-Amino-5-(2-furyl)thieno[2,3-d]pyrimidin-4(3H)-one
- Molecular formula
- C10H7N3O2S
- Molecular weight
- 233.25
Names & synonyms
3-amino-5-(2-furyl)thieno[2,3-d]pyrimidin-4(3H)-one379247-04-83-amino-5-(furan-2-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one3-amino-5-(furan-2-yl)thieno[2,3-d]pyrimidin-4-oneMFCD03028426Cambridge id 7177037Oprea1_658905MLS001177723CHEMBL1579799DTXSID601328053HMS2894M18AKOS001062111
Show more names
ZINC001026273-amino-5-(2-furyl)thieno[3,2-e]pyrimidin-4-one3-amino-5-(2-furyl)-4-thieno[3,2-e]pyrimidinone3-amino-5-furan-2-ylthieno[3,2-e]pyrimidin-4-one3-amino-5-furan-2-yl-thieno[3,2-e]pyrimidin-4-oneThieno[2,3-d]pyrimidin-4(3H)-one, 3-amino-5-(2-furanyl)-
SMR000595676CS-0308748EN300-13013G25893AF-399/408510773-amino-5-(2-furyl)thieno[2,3-d]pyrimidin-4-oneZ568849183-Amino-5-(furan-2-yl)thieno[2,3-d]pyrimidin-4(3H)-one
Database identifiers
- CAS
379247-04-8- PubChem CID
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 336
Experimental & physicochemical properties
Solubility33.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 431.8 · 431.8±55.0 °C(Predicted)
- Density
- 1.68 · 1.68±0.1 g/cm3(Predicted)
- pka
- -1.87 · -1.87±0.20(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
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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