Introduction：Basic information about CAS 636-26-0|thiothymine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | thiothymine |
|---|
| CAS Number | 636-26-0 | Molecular Weight | 142.179 |
|---|
| Density | 1.4±0.1 g/cm3 | Boiling Point | 329.7ºC at 760 mmHg |
|---|
| Molecular Formula | C5H6N2OS | Melting Point | 283-286°C |
|---|
| MSDS | / | Flash Point | 153.2ºC |
|---|
Names
| Name | 4-Hydroxy-5-Methyl-2-Mercaptopyrimidine |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
|---|
| Boiling Point | 329.7ºC at 760 mmHg |
|---|
| Melting Point | 283-286°C |
|---|
| Molecular Formula | C5H6N2OS |
|---|
| Molecular Weight | 142.179 |
|---|
| Flash Point | 153.2ºC |
|---|
| Exact Mass | 142.020081 |
|---|
| PSA | 80.74000 |
|---|
| LogP | 0.31 |
|---|
| Index of Refraction | 1.638 |
|---|
| InChIKey | ZLAQATDNGLKIEV-UHFFFAOYSA-N |
|---|
| SMILES | Cc1c[nH]c(=S)[nH]c1=O |
|---|
| Stability | Stable but may be heat or light sensitive. Incompatible with strong oxidizing agents. |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- XP2108500
- CHEMICAL NAME :
- Thymine, 2-thio-
- CAS REGISTRY NUMBER :
- 636-26-0
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C5-H6-N2-O-S
- MOLECULAR WEIGHT :
- 142.19
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 97,478,1949
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 97,478,1949
|
Safety Information
| Hazard Codes | Xi |
|---|
| Risk Phrases | R22;R40 |
|---|
| Safety Phrases | S22-S36/37 |
|---|
| RTECS | XP2108500 |
|---|
| HS Code | 2933599090 |
|---|
Customs
| 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% |
|---|
Synonyms
| 5-Methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one |
| MFCD00009777 |
| 5-Methyl-2-sulfanylpyrimidin-4-ol |
| 5-Methyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone |
| 4(1H)-Pyrimidinone, 2,3-dihydro-5-methyl-2-thioxo- |
| thiothymine |
| 5-methyl-2-sulfanylidene-1H-pyrimidin-4-one |
