Introduction：Basic information about CAS 5445-73-8|2-(METHYLTHIO)-1,4,5,6-TETRAHYDROPYRIMIDINE HYDROIODIDE, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-(METHYLTHIO)-1,4,5,6-TETRAHYDROPYRIMIDINE HYDROIODIDE |
|---|
| CAS Number | 5445-73-8 | Molecular Weight | 258.12400 |
|---|
| Density | / | Boiling Point | 208ºC at 760mmHg |
|---|
| Molecular Formula | C5H11IN2S | Melting Point | 138-139ºC |
|---|
| MSDS | / | Flash Point | 79.6ºC |
|---|
Names
| Name | 2-methylsulfanyl-1,4,5,6-tetrahydropyrimidine,hydroiodide |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Boiling Point | 208ºC at 760mmHg |
|---|
| Melting Point | 138-139ºC |
|---|
| Molecular Formula | C5H11IN2S |
|---|
| Molecular Weight | 258.12400 |
|---|
| Flash Point | 79.6ºC |
|---|
| Exact Mass | 257.96900 |
|---|
| PSA | 49.69000 |
|---|
| LogP | 1.46130 |
|---|
| Index of Refraction | 1.601 |
|---|
| InChIKey | RUXGXTKDBJMOAM-UHFFFAOYSA-N |
|---|
| SMILES | CSC1=NCCCN1.I |
|---|
| Storage condition | 2-8℃ |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- UW5980000
- CHEMICAL NAME :
- Pyrimidinium, 1,4,5,6-tetrahydro-2-methylthio-, iodide
- CAS REGISTRY NUMBER :
- 5445-73-8
- LAST UPDATED :
- 197901
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C5-H11-N2-S.I
- MOLECULAR WEIGHT :
- 258.14
- WISWESSER LINE NOTATION :
- T6M CN BUTJ BS1 &IH
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 178 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#00726
|
Safety Information
| Hazard Codes | Xi |
|---|
| 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
| Pyrimidinium,1,4,5,6-tetrahydro-2-methylthio-,iodide |
| 2-(METHYLTHIO)-1,4,5,6-TETRAHYDROPYRIMIDINE HYDROIODIDE |
| 2-Methylmercapto-1,4,5,6-tetrahydro-pyrimidin,Hydrojodid |
| F2147-0307 |
| 2-methylmercapto-1,4,5,6-tetrahydropyrimidine hydroiodide |
| 2-methylthio-3,4,5,6-tetrahydropyrimidine hydroiodide |
| 2-methylsulfanyl-1,4,5,6-tetrahydro-pyrimidine,hydriodide |
