2-chloro-4-methylthiopyrimidine - CAS 49844-93-1
Catalog: |
BB026840 |
Product Name: |
2-chloro-4-methylthiopyrimidine |
CAS: |
49844-93-1 |
Synonyms: |
2-chloro-4-(methylthio)pyrimidine; 2-chloro-4-methylsulfanylpyrimidine |
IUPAC Name: | 2-chloro-4-methylsulfanylpyrimidine |
Description: | 2-chloro-4-methylthiopyrimidine (CAS# 49844-93-1) is a useful research chemical. |
Molecular Weight: | 160.62 |
Molecular Formula: | C5H5ClN2S |
Canonical SMILES: | CSC1=NC(=NC=C1)Cl |
InChI: | InChI=1S/C5H5ClN2S/c1-9-4-2-3-7-5(6)8-4/h2-3H,1H3 |
InChI Key: | VAATWVRXPRDPPM-UHFFFAOYSA-N |
Boiling Point: | 308.3 °C at 760 mmHg |
Purity: | 96 % |
Density: | 1.37 g/cm3 |
MDL: | MFCD09265490 |
LogP: | 1.85190 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021133809-A1 | Inhibitors of mutant forms of egfr | 20191223 |
TW-201940481-A | GCN2 inhibitor and its use | 20180129 |
TW-201941775-A | GCN2 inhibitor and its use | 20180129 |
US-2019233411-A1 | Gcn2 inhibitors and uses thereof | 20180129 |
US-2019233425-A1 | Gcn2 inhibitors and uses thereof | 20180129 |
Complexity: | 91 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.9861970 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.9861970 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 51.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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