4-Chloro-2-(methylthio)thieno[2,3-d]pyrimidine - CAS 598298-10-3
Catalog: |
BB046799 |
Product Name: |
4-Chloro-2-(methylthio)thieno[2,3-d]pyrimidine |
CAS: |
598298-10-3 |
Synonyms: |
4-chloro-2-(methylsulfanyl)thieno[2,3-d]pyrimidine; Thieno[2,3-d]pyrimidine, 4-chloro-2-(methylthio)- |
IUPAC Name: | 4-chloro-2-methylsulfanylthieno[2,3-d]pyrimidine |
Description: | 4-Chloro-2-(methylthio)thieno[2,3-d]pyrimidine (CAS# 598298-10-3 ) is a useful research chemical. |
Molecular Weight: | 216.71 |
Molecular Formula: | C7H5ClN2S2 |
Canonical SMILES: | CSC1=NC2=C(C=CS2)C(=N1)Cl |
InChI: | InChI=1S/C7H5ClN2S2/c1-11-7-9-5(8)4-2-3-12-6(4)10-7/h2-3H,1H3 |
InChI Key: | MPSIJWLMMVUKGB-UHFFFAOYSA-N |
Boiling Point: | 394.5±45.0 °C (Predicted) |
Purity: | ≥ 95 % |
Density: | 1.53±0.1 g/cm3 |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.9582682 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.9582682 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 79.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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