5,7-Dihydro-2-methylthieno[3,4-d]pyrimidine - CAS 36267-71-7
Catalog: |
BB054292 |
Product Name: |
5,7-Dihydro-2-methylthieno[3,4-d]pyrimidine |
CAS: |
36267-71-7 |
Synonyms: |
Thieno[3,4-d]pyrimidine, 5,7-dihydro-2-methyl-; 2-Methyl-5,7-dihydrothiopheno[3,4-d]pyrimidine; 2-Methyl-5H,7H-thieno[3,4-d]pyrimidine |
IUPAC Name: | 2-methyl-5,7-dihydrothieno[3,4-d]pyrimidine |
Molecular Weight: | 152.22 |
Molecular Formula: | C7H8N2S |
Canonical SMILES: | CC1=NC=C2CSCC2=N1 |
InChI: | InChI=1S/C7H8N2S/c1-5-8-2-6-3-10-4-7(6)9-5/h2H,3-4H2,1H3 |
InChI Key: | XSUYIZJJKIKWFN-UHFFFAOYSA-N |
Boiling Point: | 280.8±40.0°C (Predicted) |
Melting Point: | 64.5-65°C |
Purity: | ≥95% |
Density: | 1.260±0.06 g/cm3 (Predicted) |
Solubility: | Soluble in Alcohol, Water (Very Slightly) |
Appearance: | White to Pale Yellow Solid |
Storage: | Store at RT |
LogP: | 2.812 (est) |
GHS Hazard Statement: | H302 (90.27%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Complexity: | 129 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.04081944 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.04081944 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 51.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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