CAS
10047-33-3 Purity
98%
10047-33-3 Purity
98%
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4,5-Diamino-6-hydroxy-2-mercapto-pyrimidine
CAS
1004-76-8
Catalog Number
ACM1004768
Category
Other Products
Molecular Weight
158.18
Molecular Formula
C4H6N4OS
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Specification
Synonyms
4,5-Diamino-2-thiouracil, 5,6-Diamino-2-thiouracil, D17807_ALDRICH, 4,5-Diamino-6-hydroxy-2-thiopyrimidine, Uracil, 5,6-diamino-2-thio-, ALD-N037856, NSC45759, EINECS 213-727-5, NSC 45759, ZINC00967309, ZINC01081263, 4,5-Diamino-2-mercaptopyrimidin-6-ol, 4,5-Diamino-2-mercaptopyrimidine-6-ol, 4,5-Diamino-6-hydroxy-2-mercaptopyrimidine, AI3-52253, TL8000054, 5,6-diamino-2-sulfanylpyrimidin-4(3H)-one, Uracil, 5,6-diamino-2-thio- (VAN) (8CI), AC-907/25005461, 4(1H)-Pyrimidinone, 5,6-diamino-2,3-dihydro-2-thioxo-
IUPAC Name
5,6-diamino-2-sulfanylidene-1H-pyrimidin-4-one
Canonical SMILES
C1(=C(NC(=S)NC1=O)N)N
InChI Key
QYSWOQHLIDKEOL-UHFFFAOYSA-N
Boiling Point
473ºC at 760 mmHg
Melting Point
>300ºC
Flash Point
239.9ºC
Density
1.66 g/cm³
EC Number
213-727-5
Exact Mass
158.02600
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
3
H-Bond Donor
4
Safety Description
S26-S36
WGK Germany
3
Upstream Synthesis Route 1
- 1672-48-6
- 1004-76-8
Reference: [1] Journal of Heterocyclic Chemistry, 2004, vol. 41, # 4, p. 581 - 585
[2] Synthetic Communications, 2010, vol. 40, # 12, p. 1856 - 1866
Upstream Synthesis Route 2
- 1004-40-6
- 57573-52-1
- 1004-76-8
Reference: [1]Journal of the Chemical Society,1935,p. 467,469
Downstream Synthesis Route 1
- 100-52-7
- 1004-76-8
- 14892-97-8
Reference: [1] Tetrahedron Letters, 2016, vol. 57, # 29, p. 3204 - 3207
Downstream Synthesis Route 2
- 1004-76-8
- 134-81-6
- 14892-97-8
Reference: [1] Bulletin de la Societe Chimique de France, 1945, vol. <5> 12, p. 78,82
Downstream Synthesis Route 3
- 1004-76-8
- 134-81-6
- 14892-97-8
Reference: [1]Bulletin de la Societe Chimique de France,1945,vol. <5> 12,p. 78,82
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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