4-Aminopyrimidine-2-thiol
4-Aminopyrimidine-2-thiol structure
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Common Name | 4-Aminopyrimidine-2-thiol | ||
|---|---|---|---|---|
| CAS Number | 333-49-3 | Molecular Weight | 127.168 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 347.7±34.0 °C at 760 mmHg | |
| Molecular Formula | C4H5N3S | Melting Point | 285-290 °C (dec.)(lit.) | |
| MSDS | USA | Flash Point | 164.1±25.7 °C | |
| Name | 4-amino-2-mercaptopyrimidine |
|---|---|
| Synonym | More Synonyms |
| Density | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 347.7±34.0 °C at 760 mmHg |
| Melting Point | 285-290 °C (dec.)(lit.) |
| Molecular Formula | C4H5N3S |
| Molecular Weight | 127.168 |
| Flash Point | 164.1±25.7 °C |
| Exact Mass | 127.020416 |
| PSA | 90.60000 |
| LogP | -2.39 |
| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
| Index of Refraction | 1.694 |
| InChIKey | DCPSTSVLRXOYGS-UHFFFAOYSA-N |
| SMILES | Nc1ccnc(=S)[nH]1 |
| Storage condition | -20?C Freezer |
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
MUTATION DATA
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| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xi |
| Safety Phrases | S22-S24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | UW0520000 |
| HS Code | 2933599090 |
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4-Aminopyrimidi... CAS#:333-49-3 |
| Literature: Journal of the Society of Chemical Industry, London, , vol. 69, p. 353 Journal of the American Chemical Society, , vol. 71, p. 2279,2280 Journal of Biological Chemistry, , vol. 177, p. 357,358 |
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4-Aminopyrimidi... CAS#:333-49-3 |
| Literature: Journal of the American Chemical Society, , vol. 72, p. 2587,2593 |
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4-Aminopyrimidi... CAS#:333-49-3 |
| Literature: Scherbinina; Dar'In; Lobanov Chemistry of Heterocyclic Compounds, 2010 , vol. 46, # 9 p. 1109 - 1115 |
| HS Code | 2933599090 |
|---|---|
| Summary | 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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A comparative study of the hydrogen-bonding patterns and prototropism in solid 2-thiocytosine (potential antileukemic agent) and cytosine, as studied by 1H-14N NQDR and QTAIM/ DFT.
J. Mol. Model. 18(1) , 11-26, (2012) A potential antileukemic and anticancer agent, 2-thiocytosine (2-TC), has been studied experimentally in the solid state by (1)H-(14)N NMR-NQR double resonance (NQDR) and theoretically by the quantum ... |
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Proton-coupled hole transfer in X-irradiated doped crystalline cytosine.H2O.
J. Phys. Chem. A 112(16) , 3597-606, (2008) Following exposure to X-irradiation at low temperatures, the main reactions taking place in single crystals of cytosine monohydrate doped with minute amounts of 2-thiocytosine are hole transfer (HT) f... |
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Theoretical and matrix-isolation experimental studies on 2-thiocytosine and 5-fluoro-2-thiocytosine.
Biochim. Biophys. Acta 1172(3) , 239-46, (1993) 2-Thiocytosine (s2Cyt) and 5-fluoro-2-thiocytosine (f5s2Cyt) were studied by means of IR spectroscopy under different environmental conditions: isolated in low-temperature inert gas matrices, associat... |
| 6-AMino-2-pyriMidinethione |
| THIOCYTOSINE |
| 2-THIOCYTOSINE |
| 2-Pyrimidinethiol, 4-amino- |
| 4-Aminopyrimidine-2-thiol |
| 4-Amino-2(1H)-pyrimidinethione |
| 4-aminopyrimidine-2-thione |
| 4-amino-2-pyrimidine-thiol |
| Cytosine,thio |
| Cytosine,2-thio |
| MFCD00057341 |
| 2-mercapto-4-Aminopyrimidine |
| 4-AMINO-2-THIOPYRIMIDINE |
| 4-aminopyrimidine-2(1H)-thione |
| 4-AMinothio-2-pyriMidinone |
| EINECS 206-374-3 |
| 4-Amino-2-mercaptopyrimidine |
| 4-Amino-6-mercaptopurine |