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Cas Database |
| Name |
4,5-Diamino-6-mercaptopyrimidine |
EINECS | 220-644-8 |
| CAS No. | 2846-89-1 | Density | 1.78g/cm3 |
| PSA | 116.62000 | LogP | 1.09210 |
| Solubility | N/A | Melting Point |
257 °C (decomp) |
| Formula | C4H6N4S | Boiling Point | 229.3 °C at 760 mmHg |
| Molecular Weight | 142.184 | Flash Point | 92.5 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
4(1H)-Pyrimidinethione,5,6-diamino- (9CI);4-Pyrimidinethiol, 5,6-diamino- (6CI,7CI,8CI);4,5-Diamino-6-mercaptopyrimidine;4,5-Diaminopyrimidine-6(1H)-thione;5,6-Diamino-4(3H)-pyrimidinethione;5,6-Diamino-4-pyrimidinethiol;NSC 30021; |
Article Data | 9 |
4,5-Diamino-6-mercaptopyrimidine Synthetic route
| Conditions | Yield |
|---|---|
| With Lawessons reagent | 43% |
- 14237-71-9
2-chloro-4,6-dimethylnicotinonitrile
- 2846-89-1
4,5-Diamino-6-mercaptopyrimidine
| Conditions | Yield |
|---|---|
| With sodium hydroxide In methanol for 20h; Heating; | 96% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide In methanol at 60 - 65℃; | 93% |
- 16588-02-6
4-chloro-3-cyanonitrobenzene
- 2846-89-1
4,5-Diamino-6-mercaptopyrimidine
| Conditions | Yield |
|---|---|
| With sodium hydroxide In methanol at 60 - 65℃; for 1h; | 82% |
- 2846-89-1
4,5-Diamino-6-mercaptopyrimidine
- 1203-25-4
6-chloro-1,3-dimethyl-5-nitrouracil
- 96090-27-6
4-Amino-5,7-dimethyl-10,10a-dihydro-5H,8aH-9-thia-1,3,5,7,10-pentaaza-anthracene-6,8-dione
| Conditions | Yield |
|---|---|
| 78% |
- 102689-02-1
2-Bromo-3-isopropylamino-5,5-dimethyl-cyclohex-2-enone
- 2846-89-1
4,5-Diamino-6-mercaptopyrimidine
| Conditions | Yield |
|---|---|
| 70% |
| Conditions | Yield |
|---|---|
| Heating; | 65% |
- 102688-96-0
2-Bromo-3-butylamino-5,5-dimethyl-cyclohex-2-enone
- 2846-89-1
4,5-Diamino-6-mercaptopyrimidine
| Conditions | Yield |
|---|---|
| 63% |
- 51924-68-6
3-Amino-2-bromo-5,5-dimethyl-cyclohex-2-enone
- 2846-89-1
4,5-Diamino-6-mercaptopyrimidine
| Conditions | Yield |
|---|---|
| 62.5% |
- 51924-66-4
3-Benzylamino-2-bromo-5,5-dimethyl-2-cyclohexen-1-one
- 2846-89-1
4,5-Diamino-6-mercaptopyrimidine
| Conditions | Yield |
|---|---|
| 62% |
4,5-Diamino-6-mercaptopyrimidine Specification
The 4,5-Diamino-6-mercaptopyrimidine with the cas number 2846-89-1, is also called 4-pyrimidinethiol, 5,6-diamino-. The systematic name is 5,6-diaminopyrimidine-4(1H)-thione. Its molecular formula is C4H6N4S. Its EINECS is 220-644-8. This chemical is a kind of organics.
The properties of the chemical are: (1)ACD/LogP: -2.15; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.54; (6)ACD/KOC (pH 7.4): 1.47; (7)#H bond acceptors: 4; (8)#H bond donors: 5; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 54.17 Å2; (11)Index of Refraction: 1.85; (12)Molar Refractivity: 35.68 cm3; (13)Molar Volume: 79.8 cm3; (14)Polarizability: 14.14×10-24cm3; (15)Surface Tension: 77.1 dyne/cm; (16)Enthalpy of Vaporization: 46.59 kJ/mol; (17)Vapour Pressure: 0.07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: S=C1/N=C\NC(\N)=C1\N
(2)InChI: InChI=1/C4H6N4S/c5-2-3(6)7-1-8-4(2)9/h1H,5H2,(H3,6,7,8,9)
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