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22325-27-5,MFCD00006079
Catalog No.:AA003HF8
22325-27-5 | 4,6-Dimethyl-2(1H)-pyrimidinethione
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99%(HPLC)
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HF8
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
Computed 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  

Synonyms
 
4,6-dimethylpyrimidine-2-thiol 
4,6Me2Pm2SH 
4,6-Dimethylpyrimidine-2-thione 
22288-78-4 
6622-92-0 
4,6-dimethylpyrimidine-2(1h)-thione 
4,6-dimethyl-pyrimidine-2-thiol 
EINECS 244-911-3 
2-Pyrimidinethiol, 4,6-dimethyl- (9CI) 
RAFAYWADRVMWFA-UHFFFAOYSA-N 
2-Mercapto-4,6-dimethyl-pyrimidine 
4,6-dimethyl-1H-pyrimidine-2-thione 
131321-42-1 
4,6-Dimethyl-2-thiolpyrimidine 
4,6-Dimethyl-2-mercaptopyrimidine 
NSC15491 
PubChem7187 
AC1LDRM4 
AC1Q2IDU 
ACMC-1CD94 
SCHEMBL51447 
KSC490Q8D 
2-Pyrimidinethiol,6-dimethyl- 
Jsp004538 
CHEMBL1650609 
22325-27-5 
CTK3J0881 
KS-00000KVJ 
ZINC86626 
4,6dimethyl-2-mercaptopyrimidine 
DTXSID70176867 
4,6-Di methyl-2-pyrimidinethiol 
4, 6dimethyl-2-mercaptopyrimidine 
4,6 dimethyl-2-mercaptopyrimidine 
HMS1766L06 
2-Pyrimidinethiol, 4,6-dimethyl- 
4,6-Dimethyl-2(1H)-pyrimidinethione 
ACT08030 
BCP24727 
4, 6-Dimethyl-2-mercaptopyrimidine 
4,6-dimethyl-2-mercapto-pyrimidine 
2(1H)-Pyrimidinethione,6-dimethyl- 
ANW-52079 
BBL015202 
MFCD00006079 
NSC-15491 
SBB007591 
4,6-Dimethylpyrimidine-2-thiol 
STK392544 
AKOS000119130 
AKOS000269270 
AM81324 
GS-6774 
LS20849 
MCULE-3338119241 
NCGC00324881-01 
AC-26754 
AJ-10758 
2-Mercapto-4,6-dimethylpyrimidine 
AK-46763 
BR-46763 
CJ-00699 
HC210016 
ST005552 
SY021364 
ZB003102 
AB0010881 
DB-016049 
LS-135636 
4,6-Dimethyl-2-pyrimidinethiol 
ST2417916 
TC-164417 
BB 0218011 
D1580 
FT-0617264 
FT-0688927 
4,6-dimethyl-1,2-dihydropyrimidine-2-thione 
MFCD00272876 (95%) 
M-3318 
AB01319403-02 
4,6-Dimethyl-2-thiopyrimidine 
325D275 
942D989 
I03-0157 
J-514103 
J-640155 
J-650335 
J-800158 
F2130-0006 
A0458/0021138 
C6H8N2S 
2(1H)-Pyrimidinethione, 4,6-dimethyl- 
C6-H8-N2-S 
4,5-DIMETHYL-2-PYRIMIDINETHIOL 
CID673664 
4,5-Dimethylpyrimidine-2(1H)-thione 
N,N',N'',N'''-Tetraacetylglycouril 
4,6-Dimethyl-Pyrimidine-2-Thiol Sulfate 
2-Mercapto-4,6-dimethylpyrimidine hydrate 
4,6-Dimethyl-2-pyrimidinethiol, 97% - 50G 50g 
64942-98-9 
2(1H)-Pyrimidinethione, 4,6-dimethyl- (7CI, 8CI, 9CI) 
Literature

Title: [4,6-Dimethyl-pyrimidine-2(1H)-thione-κS]iodidobis(triphenyl-phosphane-κP)copper(I).

Journal: Acta crystallographica. Section E, Structure reports online 20120601

Title: Identifying chelators for metalloprotein inhibitors using a fragment-based approach.

Journal: Journal of medicinal chemistry 20110127

Title: Structural and electronic properties of luminescent copper(I) halide complexes of bis[2-(diphenylphosphano)phenyl] ether (DPEphos). Crystal structure of [CuCl(DPEphos)(dmpymtH].

Journal: Dalton transactions (Cambridge, England : 2003) 20101114

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: trans-Bromido(pyrimidinyl-κC)bis-(triphenyl-phosphane-κP)palladium(II).

Journal: Acta crystallographica. Section E, Structure reports online 20101101

Title: Bis[2-((4,6-dimethyl-pyrimidin-2-yl){2-[(4,6-dimethyl-pyrimidin-2-yl)sulfan-yl]eth-yl}amino)-eth-yl] disulfide.

Journal: Acta crystallographica. Section E, Structure reports online 20101001

Title: Bis(4,6-dimethyl-pyrimidine-2-thiol-ato)dimethyl-tin(IV).

Journal: Acta crystallographica. Section E, Structure reports online 20100901

Title: trans-Bis(4,6-dimethyl-pyrimidine-2-thiol-ato-κN,S)bis-(thio-urea-κS)nickel(II).

Journal: Acta crystallographica. Section E, Structure reports online 20091201

Title: 4,6-Dimethyl-2-thioxo-1,2-dihydro-pyrimidin-3-ium chloride-thio-urea (1/1).

Journal: Acta crystallographica. Section E, Structure reports online 20090601

Title: N-(2-Chloro-phen-yl)-2-(4,6-dimethyl-pyrimidin-2-ylsulfan-yl)acetamide.

Journal: Acta crystallographica. Section E, Structure reports online 20090501

Title: 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: Journal of inorganic biochemistry 20080901

Title: 2-(4,6-Dimethyl-pyrimidin-2-ylsulfan-yl)-N-phenyl-acetamide.

Journal: Acta crystallographica. Section E, Structure reports online 20080401

Title: Electrochemical oxidation of 2-pyrimidinethiols and theoretical study of their dimers, disulfides, sulfenyl radicals, and tautomers.

Journal: The journal of physical chemistry. A 20080221

Title: 2-(4,6-Dimethyl-pyrimidin-2-ylsulfan-yl)-N-(4-methyl-pyridin-2-yl)acetamide.

Journal: Acta crystallographica. Section E, Structure reports online 20080101

Title: Potentiality of a new compound for in vitro differentiation between halophilic and non-halophilic vibrios.

Journal: Indian journal of experimental biology 20020201

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