Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylic acid
5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid · 5-Methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylic acid · 5-Methyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyriMidine-6-carboxylic · 5-methyl-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid · Thieno[2,3-d]pyrimidine-6-carboxylic acid, 1,4-dihydro-5-methyl-4-oxo- · 5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid(SALTDATA: FREE)
![5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylic acid 분자 구조식](/img/chemical/405802.png)
식별자 및 물리적 특성
| CAS No. | 101667-97-4 |
|---|---|
| 분자식 | C8H6N2O3S |
| 평균 분자량 | 210.21 g/mol |
| 단동위원소 질량 | 210.00991305 g/mol |
| SMILES | Cc1c(C(=O)O)sc2nc[nH]c(=O)c12 |
| InChIKey | CYNGLBSDKJIAOD-UHFFFAOYSA-N |
| PubChem CID | 405802 |
| ChEMBL | CHEMBL1965658 |
| EC No. | 675-249-7 |
| DTXSID | DTXSID50328084 |
화학 및 물리적 성질
| XLogP | 0.9 |
|---|---|
| 극성 표면적 | 107 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 318 |
| 녹는점 | 300 °C(Solv: 1,4-dioxane (123-91-1)) |
| 끓는 점 | 571.8±50.0 °C(Predicted) |
| 밀도 | 1.76±0.1 g/cm3(Predicted) |
| pKa(산도 계수) | 3.72±0.20(Predicted) |
화학적 성질
White solid
안전 및 규제
| GHS 분류 | WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (50%) |
| 관세 코드 | 29335990 |
| 위험 문구(R) | 36/37/38 |
| 안전 문구(S) | 26-36 |
| 위험 등급 | IRRITANT |