4,6-Dimethylpyrimidine-2(1H)-thione - CAS 22325-27-5
Catalog: |
BB017526 |
Product Name: |
4,6-Dimethylpyrimidine-2(1H)-thione |
CAS: |
22325-27-5 |
Synonyms: |
4,6-dimethyl-1H-pyrimidine-2-thione; 4,6-dimethyl-1H-pyrimidine-2-thione |
IUPAC Name: | 4,6-dimethyl-1H-pyrimidine-2-thione |
Description: | 4,6-Dimethylpyrimidine-2(1H)-thione (CAS# 22325-27-5) is a useful research chemical. |
Molecular Weight: | 140.21 |
Molecular Formula: | C6H8N2S |
Canonical SMILES: | CC1=CC(=NC(=S)N1)C |
InChI: | InChI=1S/C6H8N2S/c1-4-3-5(2)8-6(9)7-4/h3H,1-2H3,(H,7,8,9) |
InChI Key: | RAFAYWADRVMWFA-UHFFFAOYSA-N |
Boiling Point: | 212.9 °C at 760 mmHg |
Density: | 1.2 g/cm3 |
MDL: | MFCD00006079 |
LogP: | 1.38210 |
GHS Hazard Statement: | H315 (95.65%): 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 |
CN-113351259-A | Method for synthesizing disulfide by catalyzing mercapto compound oxidation with cobalt nanoparticle/carbon fiber composite mesoporous material | 20210716 |
CN-113331174-A | Nanoparticle antifreeze agent containing small molecule monolayer and preparation method thereof | 20210513 |
CN-112608207-A | Preparation of 4, 6-dimethyl-2-mercaptopyrimidine divalent nickel complexα-Use in alkyl ketones | 20210118 |
ZA-202101911-B | Application of a 4,6-dimethyl-2-mercaptopyrimidine divalent nickel complex in the preparation of alpha-alkyl ketones | 20210118 |
JP-2021063999-A | Colored photosensitive resin composition | 20210104 |
PMID | Publication Date | Title | Journal |
22719327 | 20120601 | [4,6-Dimethyl-pyrimidine-2(1H)-thione-κS]iodidobis(triphenyl-phosphane-κP)copper(I) | Acta crystallographica. Section E, Structure reports online |
21189019 | 20110127 | Identifying chelators for metalloprotein inhibitors using a fragment-based approach | Journal of medicinal chemistry |
20922239 | 20101114 | Structural and electronic properties of luminescent copper(I) halide complexes of bis[2-(diphenylphosphano)phenyl] ether (DPEphos). Crystal structure of [CuCl(DPEphos)(dmpymtH] | Dalton transactions (Cambridge, England : 2003) |
21588792 | 20101002 | trans-Bromido(pyrimidinyl-κC)bis-(triphenyl-phosphane-κP)palladium(II) | Acta crystallographica. Section E, Structure reports online |
21587511 | 20100908 | Bis[2-((4,6-dimethyl-pyrimidin-2-yl){2-[(4,6-dimethyl-pyrimidin-2-yl)sulfan-yl]eth-yl}amino)-eth-yl] disulfide | Acta crystallographica. Section E, Structure reports online |
Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.04081944 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.04081944 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 56.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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