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22325-27-5 | 4,6-Dimethyl-2(1H)-pyrimidinethione
CAS No: 22325-27-5 Catalog No: AG003HI0 MDL No:MFCD00006079
Product Description
Catalog Number:
AG003HI0
Chemical Name:
4,6-Dimethyl-2(1H)-pyrimidinethione
CAS Number:
22325-27-5
Molecular Formula:
C6H8N2S
Molecular Weight:
140.2061
MDL Number:
MFCD00006079
IUPAC Name:
4,6-dimethyl-1H-pyrimidine-2-thione
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
SMILES:
Cc1cc(C)[nH]c(=S)n1
EC Number:
244-911-3
NSC Number:
15491
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.041g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.204g/mol
Monoisotopic Mass:
140.041g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| [4,6-Dimethyl-pyrimidine-2(1H)-thione-κS]iodidobis(triphenyl-phosphane-κP)copper(I). | Acta crystallographica. Section E, Structure reports online 20120601 |
| Identifying chelators for metalloprotein inhibitors using a fragment-based approach. | Journal of medicinal chemistry 20110127 |
| 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) 20101114 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| trans-Bromido(pyrimidinyl-κC)bis-(triphenyl-phosphane-κP)palladium(II). | Acta crystallographica. Section E, Structure reports online 20101101 |
| 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 20101001 |
| Bis(4,6-dimethyl-pyrimidine-2-thiol-ato)dimethyl-tin(IV). | Acta crystallographica. Section E, Structure reports online 20100901 |
| trans-Bis(4,6-dimethyl-pyrimidine-2-thiol-ato-κN,S)bis-(thio-urea-κS)nickel(II). | Acta crystallographica. Section E, Structure reports online 20091201 |
| 4,6-Dimethyl-2-thioxo-1,2-dihydro-pyrimidin-3-ium chloride-thio-urea (1/1). | Acta crystallographica. Section E, Structure reports online 20090601 |
| N-(2-Chloro-phen-yl)-2-(4,6-dimethyl-pyrimidin-2-ylsulfan-yl)acetamide. | Acta crystallographica. Section E, Structure reports online 20090501 |
| Synthesis, characterization, X-ray structure and in vitro antimycobacterial and antitumoral activities of Ru(II) phosphine/diimine complexes containing the 'SpymMe2' ligand, SpymMe2=4,6-dimethyl-2-mercaptopyrimidine. | Journal of inorganic biochemistry 20080901 |
| 2-(4,6-Dimethyl-pyrimidin-2-ylsulfan-yl)-N-phenyl-acetamide. | Acta crystallographica. Section E, Structure reports online 20080401 |
| Electrochemical oxidation of 2-pyrimidinethiols and theoretical study of their dimers, disulfides, sulfenyl radicals, and tautomers. | The journal of physical chemistry. A 20080221 |
| 2-(4,6-Dimethyl-pyrimidin-2-ylsulfan-yl)-N-(4-methyl-pyridin-2-yl)acetamide. | Acta crystallographica. Section E, Structure reports online 20080101 |
| Potentiality of a new compound for in vitro differentiation between halophilic and non-halophilic vibrios. | Indian journal of experimental biology 20020201 |
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