Introduction：Basic information about CAS 504-17-6|4,6-Dihydroxy-2-mercaptopyrimidine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4,6-Dihydroxy-2-mercaptopyrimidine |
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| CAS Number | 504-17-6 | Molecular Weight | 144.152 |
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| Density | 1.6±0.1 g/cm3 | Boiling Point | 463.4ºC at 760 mmHg |
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| Molecular Formula | C4H4N2O2S | Melting Point | 245 °C (dec.)(lit.) |
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| MSDS | ChineseUSA | Flash Point | 234ºC |
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Names
| Name | 2-thiobarbituric acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.6±0.1 g/cm3 |
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| Boiling Point | 463.4ºC at 760 mmHg |
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| Melting Point | 245 °C (dec.)(lit.) |
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| Molecular Formula | C4H4N2O2S |
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| Molecular Weight | 144.152 |
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| Flash Point | 234ºC |
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| Exact Mass | 143.999344 |
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| PSA | 90.29000 |
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| LogP | -0.52 |
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| Index of Refraction | 1.645 |
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| InChIKey | RVBUGGBMJDPOST-UHFFFAOYSA-N |
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| SMILES | O=C1CC(=O)NC(=S)N1 |
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| Storage condition | Controlled Substance, -20°C Freezer |
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| Stability | Stable. Incompatible with strong oxidizing agents. |
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| Water Solubility | <6 g/L (20 ºC) |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- CQ7700000
- CHEMICAL NAME :
- Barbituric acid, 2-thio-
- CAS REGISTRY NUMBER :
- 504-17-6
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C4-H4-N2-O2-S
- MOLECULAR WEIGHT :
- 144.16
- WISWESSER LINE NOTATION :
- T6VMYMV FHJ CUS
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 25(5),50,1981
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 5060 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 25(5),50,1981
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 600 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 829 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 25(5),50,1981
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 4650 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 25(5),50,1981
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Safety Information
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
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| Hazard Codes | Xi:Irritant; |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S22-S24/25-S37/39-S26 |
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| RIDADR | UN 3335 |
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| WGK Germany | 2 |
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| RTECS | CQ7700000 |
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| HS Code | 29335995 |
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Customs
| HS Code | 2933599090 |
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| 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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Synonyms
| 4,6(1H,5H)-pyrimidinedione, 2-mercapto- |
| 4,6-Dihydroxy-2-mercaptopyrimidine |
| usafek-660 |
| 2-Sulfanylpyrimidine-4,6(1H,5H)-dione |
| 2-Mercapto-4,6(1H,5H)-pyrimidinedione |
| 2-Mercapto-4 |
| Thiobarbituric Acid |
| 4,6(1H,5H)-Pyrimidinedione, dihydro-2-thioxo- |
| Thiobarbituric |
| bathyran |
| Thiobarbituicacid |
| 2-thioxodihydropyrimidine-4,6(1h,5h)-dione |
| MFCD00006674 |
| AURORA KA-3842 |
| EINECS 207-985-8 |
| MALONYLTHIOUREA |
| Mealonylthiourea |
| 2-Thiobarbituric Acid |
| 2-Thioxodihydro-4,6(1H,5H)-pyrimidinedione |
| 4,6-Dihydroxypyrimidine-2-thiol |
| austranal |
