Basic information
- CAS
13554-89-7- Standard SMILES
Cc1ncc2ncsc2n1- InChIKey
MMOQXBUGBFDEKS-UHFFFAOYSA-N- Molecular formula
- C6H5N3S
- Average molar mass
- 151.19 g/mol
- Monoisotopic mass
- 151.02041835
Names & identifiers
- Preferred name
- Thiazolo[5,4-d]pyrimidine, 5-methyl-
- IUPAC
- 5-methyl-[1,3]thiazolo[5,4-d]pyrimidine
- English name
- 5-Methylthiazolo[5,4-d]pyrimidine
- Molecular formula
- C6H5N3S
- Molecular weight
- 151.19
Names & synonyms
Thiazolo[5,4-d]pyrimidine, 5-methyl-13554-89-75-Methylthiazolo[5,4-d]pyrimidine5-methyl-[1,3]thiazolo[5,4-d]pyrimidineSCHEMBL2442747SCHEMBL10908347DTXSID30343755MMOQXBUGBFDEKS-UHFFFAOYSA-N5-Methyl[1,3]thiazolo[5,4-d]pyrimidine5-Methyl[1,3]thiazolo[5,4-d]pyrimidine #
Database identifiers
- CAS
13554-89-7- PubChem CID
- 592016
- DTXSID
DTXSID30343755- Nikkaji
- J100.061F
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Boiling point
- 183.9 · 183.9±22.0 °C(Predicted)
- Density
- 1.387 · 1.387±0.06 g/cm3(Predicted)
- pka
- -0.19 · -0.19±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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