2-anilino-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione
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Basic information
- CAS
5463-95-6- Standard SMILES
S=c1[nH]cnc2sc(Nc3ccccc3)nc12- InChIKey
NILOVPWVTIMRFW-UHFFFAOYSA-N- Molecular formula
- C11H8N4S2
- Average molar mass
- 260.3 g/mol
- Monoisotopic mass
- 260.01903862
Names & identifiers
- Preferred name
- 2-anilino-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione
- IUPAC
- 2-anilino-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione
- English name
- 8-anilino-9-thia-2,4,7-triazabicyclo[4.3.0]nona-2,7,10-triene-5-thione
- Molecular formula
- C11H8N4S2
- Molecular weight
- 260.34
Names & synonyms
MLS0007378515463-95-6NSC19113CHEMBL1525545DTXSID80395249NSC-19113SMR0005281882-Anilino[1,3]thiazolo[5,4-d]pyrimidine-7(6H)-thioneThiazolo[5,4-d]pyrimidine-7(6H)-thione, 2-(phenylamino)-8-anilino-9-thia-2,4,7-triazabicyclo[4.3.0]nona-2,7,10-triene-5-thione
Database identifiers
- CAS
5463-95-6- PubChem CID
- 3701969
- DTXSID
DTXSID80395249- ChEMBL
CHEMBL1525545
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 327
Physicochemical properties
- Boiling point
- 477 · 477.0±55.0 °C(Predicted)
- Density
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- pka
- 7.09 · 7.09±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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