Introduction：Basic information about CAS 29113-41-5|4(1H)-Pyrimidinone,5-butyl-2,3-dihydro-6-methyl-2-thioxo-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4(1H)-Pyrimidinone,5-butyl-2,3-dihydro-6-methyl-2-thioxo- |
|---|
| CAS Number | 29113-41-5 | Molecular Weight | 198.28500 |
|---|
| Density | 1.16g/cm3 | Boiling Point | 363.8ºC at 760mmHg |
|---|
| Molecular Formula | C9H14N2OS | Melting Point | / |
|---|
| MSDS | / | Flash Point | 173.8ºC |
|---|
Names
| Name | 5-butyl-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Density | 1.16g/cm3 |
|---|
| Boiling Point | 363.8ºC at 760mmHg |
|---|
| Molecular Formula | C9H14N2OS |
|---|
| Molecular Weight | 198.28500 |
|---|
| Flash Point | 173.8ºC |
|---|
| Exact Mass | 198.08300 |
|---|
| PSA | 80.74000 |
|---|
| LogP | 2.08350 |
|---|
| Vapour Pressure | 8.42E-06mmHg at 25°C |
|---|
| Index of Refraction | 1.569 |
|---|
| InChIKey | CTHUKFGHEPDDJE-UHFFFAOYSA-N |
|---|
| SMILES | CCCCc1c(C)[nH]c(=S)[nH]c1=O |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- YQ9379500
- CHEMICAL NAME :
- Uracil, 5-butyl-6-methyl-2-thio-
- CAS REGISTRY NUMBER :
- 29113-41-5
- BEILSTEIN REFERENCE NO. :
- 0152036
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C9-H14-N2-O-S
- MOLECULAR WEIGHT :
- 198.31
- WISWESSER LINE NOTATION :
- T6MYMVJ BUS E4 F1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 140 mg/kg
- TOXIC EFFECTS :
- Behavioral - antipsychotic
- REFERENCE :
- CPBTAL Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA, 1255 Howard St., San Francisco, CA 94103) V.6- 1958- Volume(issue)/page/year: 6,490,1958
|
Safety Information
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
| Butystat |
| 5-butyl-2-mercapto-6-methylpyrimidin-4-ol |
| EINECS 249-447-5 |
| 5-Butyl-6-methyl-2-thiouracil |
| 5-butyl-4-hydroxy-2-mercapto-6-methylpyrimidine |
| Tireobutil |
| 5-butyl-6-methyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one |
| 5-Butyl-6-methyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-on |
| Uracil,5-butyl-6-methyl-2-thio |
