Home Amines 1004-39-3
1004-39-3,MFCD00149406
Catalog No.:AA0001U5
1004-39-3 | 4,6-Diamino-2-mercaptopyrimidine
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1g
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5g
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25g
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100g
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  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA0001U5
Chemical Name:
4,6-Diamino-2-mercaptopyrimidine
CAS Number:
1004-39-3
Molecular Formula:
C4H6N4S
Molecular Weight:
142.1822
MDL Number:
MFCD00149406
IUPAC Name:
4,6-diamino-1H-pyrimidine-2-thione
InChI:
InChI=1S/C4H6N4S/c5-2-1-3(6)8-4(9)7-2/h1H,(H5,5,6,7,8,9)
InChI Key:
QCAWOHUJKPKOMD-UHFFFAOYSA-N
SMILES:
Nc1cc(N)[nH]c(=S)n1
EC Number:
213-721-2
UNII:
0VP6I0FY3O
Properties
Computed Properties
 
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.031g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
142.18g/mol
Monoisotopic Mass:
142.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2  

Synonyms
 
4,6-diaminopyrimidine-2-thiol 
4,6-Diamino-2-mercaptopyrimidine 
0VP6I0FY3O 
QCAWOHUJKPKOMD-UHFFFAOYSA-N 
4,6-diamino-1H-pyrimidine-2-thione 
4,6-diaminopyrimidine-2(3H)-thione 
NSC680831 
4,6-Diamino-2(1H)-pyrimidinethione 
4,6-Diaminopyrimidine-2(1H)-thione 
QCAWOHUJKPKOMD-UHFFFAOYSA- 
NSC 1586 
4,6-diamino-1H-pyrimidine-2-thione hydrate 
1004-39-3 
InChI=1/C4H6N4S/c5-2-1-3(6)8-4(9)7-2/h1H,(H5,5,6,7,8,9) 
EINECS 213-721-2 
NSC 680831 
PubChem7043 
AI3-52092 
ACMC-1AF9N 
KSC835Q8J 
SCHEMBL447400 
4,6-Diamino-2-thiolpyrimidine 
SCHEMBL8723127 
4,6-Diaminopyrimidine-2-thiol 
Jsp000117 
4,6-Diaminopyrimidine-2-thione 
4,6-diarnino-2-pyrimidinethiol 
CHEMBL1868693 
DTXSID8061395 
2-Thiol-4,6-diamino-pyrimidine 
4,6-diamino-pyrimidine-2-thiol 
CTK7D5868 
CTK7D5884 
KS-00000YOA 
2-Mercapto-4,6-diaminopyrimidine 
NSC1586 
2-mercapto-4,6-diamino-pyrimidine 
4,6-diamino-2-mercapto-pyrimidine 
EBD10969 
NSC-1586 
ZINC4284766 
2(1H)-Pyrimidinethione,6-diamino- 
4,6-diaminopyrimidine-2(1H)thione 
ANW-14283 
GEO-00921 
2(1H)-Pyrimidinethione, 4,6-diamino- 
MFCD00006078 
SBB004143 
STK719927 
AKOS002337384 
AKOS003677224 
AM81334 
HP21034 
MCULE-3301109392 
NE10426 
NSC-680831 
4,6-Diamino-2-thiopyrimidine 
VP50163 
4,6-Diamino-2(1H)-pyrimidinethione # 
4,6-diamino-3-hydropyrimidine-2-thione 
NCGC00186390-01 
NCGC00186390-02 
AC-25257 
AJ-50218 
AK111069 
AN-48264 
AS-18859 
4,6-Diamino-2-pyrimidinethiol 
CJ-11857 
HC210035 
SC-00034 
ST059632 
AB0030731 
DB-028659 
TC-103028 
4,6-Diamino-1,2-dihydro-2-thioxopyrimidine 
4CH-011871 
CS-0078663 
2-Thio-6-aminocytosine 
D2063 
FT-0617229 
ST24023059 
X2953 
AE-848/32943037 
I03-0245 
W-108961 
C4H6N4S 
4,6-Diamino-2-thiopyrimdine 
C4-H6-N4-S 
UNII-0VP6I0FY3O 
ACN-043832 
CID1201482 
4,6-Diamino-2-mercaptopyrimidine hydrate 
2(1H)-Pyrimidinethione, 4,6-diamino- (7CI,9CI) 
303136-89-2 
Literature

Title: 4,6-Diaminopyrimidine-2(1H)-thione hemihydrate: a three-dimensional hydrogen-bonded framework.

Journal: Acta crystallographica. Section C, Crystal structure communications 20121001

Title: Determination of ammonium ion using a reagentless amperometric biosensor based on immobilized alanine dehydrogenase.

Journal: Sensors (Basel, Switzerland) 20110101

Title: Raman characterization of monolayers formed from mixtures of sodium 2-mercaptoethanesulfonate and various aromatic mercapto-derivative bases.

Journal: The journal of physical chemistry. B 20100422

Title: Bis(4,6-diamino-pyrimidin-2-yl) disulfide dimethyl sufoxide disolvate.

Journal: Acta crystallographica. Section E, Structure reports online 20080901

Title: Synthesis, Spectroscopic, and Anticancerous Properties of Mixed Ligand Palladium(II) and Silver(I) Complexes with 4,6-Diamino-5-hydroxy-2-mercaptopyrimidine and 2,2'-Bipyridyl.

Journal: Metal-based drugs 20080101

Title: Mediatorless voltammetric oxidation of NADH and sensing of ethanol.

Journal: Biosensors & bioelectronics 20051215

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