Home Amines 100130-05-0
100130-05-0,MFCD12407810
Catalog No.:AA0000YQ
100130-05-0 | 4-Pyrimidinecarboxylic acid, 5-amino-2-(methylthio)-
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Purity
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1g
97%
in stock  
$58.00
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5g
97%
in stock  
$262.00
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0000YQ
Chemical Name:
4-Pyrimidinecarboxylic acid, 5-amino-2-(methylthio)-
CAS Number:
100130-05-0
Molecular Formula:
C6H7N3O2S
Molecular Weight:
185.2037
MDL Number:
MFCD12407810
IUPAC Name:
5-amino-2-methylsulfanylpyrimidine-4-carboxylic acid
InChI:
InChI=1S/C6H7N3O2S/c1-12-6-8-2-3(7)4(9-6)5(10)11/h2H,7H2,1H3,(H,10,11)
InChI Key:
NTEPDMJNOBYJHJ-UHFFFAOYSA-N
SMILES:
CSc1ncc(c(n1)C(=O)O)N
Properties
Computed Properties
 
Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.026g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
185.201g/mol
Monoisotopic Mass:
185.026g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

Synonyms
 
5-amino-2-(methylthio)pyrimidine-4-carboxylic acid 
100130-05-0 
KS-00000CMR 
DTXSID60571746 
ANW-50986 
MFCD12407810 
ZINC34537471 
AKOS015854561 
AN-2942 
CA-1786 
CS-W009057 
FCH1157109 
4-Pyrimidinecarboxylic acid, 5-amino-2-(methylthio)- 
MB11944 
QC-5567 
RP24530 
TRA0055394 
WT82475 
AJ-89156 
BR-28112 
DS-11232 
EN000049 
SY011532 
5-amino-2-(methylsulfanyl)pyrimidine-4-carboxylic acid 
AB0034338 
AX8159115 
DB-014546 
ST2411694 
TR-000044 
4CH-008151 
FT-0645688 
X8474 
S-6143 
MFCD12407810 (95+%) 
AK-28112 
5-Amino-2-(methylthio)pyrimidine-4-carboxylicAcid 
A800052 
I04-1426 
J-516670 
5-amino-2-methylsulfanyl-pyrimidine-4-carboxylic acid 
5-azanyl-2-methylsulfanyl-pyrimidine-4-carboxylic acid 
C6H7N3O2S 
2-methylthio-5-amino-4-pyrimidinecarboxylic acid 
1402238-34-9 
5-amino-2-(methylthio)-4-pyrimidinecarboxylic acid 
4-Pyrimidinecarboxylicacid, 5-amino-2-(methylthio)- 
ACMC-20a01o 
SCHEMBL6989833 
CTK0G9355 
Literature
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