4-Iodo-2-(methylthio)pyrimidine - CAS 1122-74-3
Catalog: |
BB002919 |
Product Name: |
4-Iodo-2-(methylthio)pyrimidine |
CAS: |
1122-74-3 |
Synonyms: |
4-iodo-2-(methylthio)pyrimidine; 4-iodo-2-methylsulfanylpyrimidine |
IUPAC Name: | 4-iodo-2-methylsulfanylpyrimidine |
Description: | 4-Iodo-2-(methylthio)pyrimidine (CAS# 1122-74-3) is a useful research chemical. |
Molecular Weight: | 252.08 |
Molecular Formula: | C5H5IN2S |
Canonical SMILES: | CSC1=NC=CC(=N1)I |
InChI: | InChI=1S/C5H5IN2S/c1-9-5-7-3-2-4(6)8-5/h2-3H,1H3 |
InChI Key: | SECBGKYJKCNDID-UHFFFAOYSA-N |
Boiling Point: | 307 °C at 760 mmHg |
Density: | 2 g/cm3 |
Storage: | Keep in dark place, Inert atmosphere, Store in freezer, under -20 °C |
MDL: | MFCD01319020 |
LogP: | 1.80310 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020192302-A1 | Pyrimidine-containing tri-substituted imidazole compound and application thereof | 20190327 |
CN-111356687-A | Pyrimidine-containing tri-substituted imidazole compound and application thereof | 20190327 |
CN-111356687-B | Pyrimidine-containing tri-substituted imidazole compound and application thereof | 20190327 |
WO-2020000065-A2 | Substituted-n-heteroaryl compounds and uses thereof | 20190325 |
KR-20200011388-A | Novel imidazole derivatives having jnk-inhibitory activity and pharmaceutical composition having the same | 20180724 |
Complexity: | 91 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.92182 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.92182 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 51.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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