5-Bromo-4-chloro-2-(methylthio)pyrimidine - CAS 63810-78-6
Catalog: |
BB032286 |
Product Name: |
5-Bromo-4-chloro-2-(methylthio)pyrimidine |
CAS: |
63810-78-6 |
Synonyms: |
5-bromo-4-chloro-2-(methylthio)pyrimidine; 5-bromo-4-chloro-2-methylsulfanylpyrimidine |
IUPAC Name: | 5-bromo-4-chloro-2-methylsulfanylpyrimidine |
Description: | 5-Bromo-4-chloro-2-(methylthio)pyrimidine (CAS# 63810-78-6) is a useful research chemical. |
Molecular Weight: | 239.52 |
Molecular Formula: | C5H4BrClN2S |
Canonical SMILES: | CSC1=NC=C(C(=N1)Cl)Br |
InChI: | InChI=1S/C5H4BrClN2S/c1-10-5-8-2-3(6)4(7)9-5/h2H,1H3 |
InChI Key: | XVRYJQACDDVZEI-UHFFFAOYSA-N |
Boiling Point: | 309.5 °C at 760 mmHg |
Density: | 1.83 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00023232 |
LogP: | 2.61440 |
GHS Hazard Statement: | H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P310, P302+P352, P305+P351+P338, P310, P321, P330, P332+P313, P362, P405, and P501 |
Signal Word: | Danger |
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Complexity: | 116 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.89671 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.89671 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 51.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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