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102243-12-9,MFCD00203030
Catalog No.:AA0006X5
102243-12-9 | 4-[(4,6-Dimethylpyrimidin-2-yl)thio]aniline
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250mg
1 week  
$113.00   $79.00
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1g
1 week  
$195.00   $137.00
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Technical Information
Catalog Number:
AA0006X5
Chemical Name:
4-[(4,6-Dimethylpyrimidin-2-yl)thio]aniline
CAS Number:
102243-12-9
Molecular Formula:
C12H13N3S
Molecular Weight:
231.3167
MDL Number:
MFCD00203030
IUPAC Name:
4-(4,6-dimethylpyrimidin-2-yl)sulfanylaniline
InChI:
InChI=1S/C12H13N3S/c1-8-7-9(2)15-12(14-8)16-11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3
InChI Key:
FPLNYQRUEFPJPX-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Sc1nc(C)cc(n1)C
Properties
Computed Properties
 
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.083g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.317g/mol
Monoisotopic Mass:
231.083g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
77.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

Synonyms
 
102243-12-9 
4-[(4,6-dimethylpyrimidin-2-yl)thio]aniline 
Peakdale1_000234 
SCHEMBL10560991 
CTK4A0850 
HMS518K14 
DTXSID80372090 
FPLNYQRUEFPJPX-UHFFFAOYSA-N 
ZINC154221 
KS-00002AF8 
7614AC 
MFCD00203030 
2-[(4-aminophenyl)thio]-4,6-dimethylpyrimidine 
SBB097794 
AKOS001354686 
MCULE-6632759180 
NE28506 
PS-5428 
RTR-000580 
VZ28067 
NCGC00320491-01 
SC-17091 
ZB005711 
4-((4,6-DIMETHYLPYRIMIDIN-2-YL)THIO)ANILINE 
4-(4,6-dimethylpyrimidin-2-ylthio)aniline 
TR-000580 
CS-0078703 
FT-0642478 
EN300-26499 
4-(4,6-dimethylpyrimidin-2-ylthio)phenylamine 
AB01315839-02 
SR-01000385189 
2-(4-aminophenylmercapto)-4,6-dimethyl-pyrimidine 
I03-1350 
2[(4-aminophenyl)thio]-4,6-dimethylpyrimidine 
SR-01000385189-1 
Z227830136 
4-[(4,6-dimethylpyrimidin-2-yl)thio]aniline, AldrichCPR 
C12H13N3S 
ZINC00154221 
CID2737477 
2-chloro-6-trifluoromethyl nicotinic acid 
2-Chloro-6-(trifluoromethyl)nicotinic acid 
4-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]aniline 
4-(4,6-dimethylpyrimidin-2-yl)sulfanylaniline 
Benzenamine, 4-[(4,6-dimethyl-2-pyrimidinyl)thio]- 
AC1MC7DD 
AC1Q2IDV 
Literature
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