Ethyl 5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Grundinformationen
- CAS
17417-67-3- Standard-SMILES
CCOC(=O)c1sc2nc[nH]c(=O)c2c1C- InChIKey
ZPNFLBDMBNUQAI-UHFFFAOYSA-N- Summenformel
- C10H10N2O3S
- Durchschnittliche Molmasse
- 238,27 g/mol
- Monoisotopische Masse
- 238,04121336
Namen und Bezeichner
- Bevorzugter Name
- Ethyl 5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
- IUPAC
- ethyl 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
- Englischer Name
- Ethyl 5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]-pyrimidine-6-carboxylate
- Summenformel
- C10H10N2O3S
- Molmasse
- 238.26
Namen und Synonyme
17417-67-3ethyl 5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylateEthyl 5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]-pyrimidine-6-carboxylateethyl 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylateMFCD001682405-Methyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl esterethyl 5-methyl-4-oxo-1H,4H-thieno[2,3-d]pyrimidine-6-carboxylateEthyl 5-methyl-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylateethyl 4-hydroxy-5-methylthieno[2,3-d]pyrimidine-6-carboxylateethyl 5-methyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimidine-6-carboxylateZPNFLBDMBNUQAI-UHFFFAOYSA-NChemDiv3_001349
Weitere Namen anzeigen
AURORA 20245AKOS BBS-00002543VITAS-BB TBB013026OTAVA-BB 7012340066OTAVA-BB BB7012340066
MLS000067641SCHEMBL263943CHEMBL1582655DTXSID20352654HMS1476N07HMS2170D11HMS3319F13HMS5089P17
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 96 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 345
Physikochemische Eigenschaften
- Schmelzpunkt
- 230 °C · >230°C
- Siedepunkt
- 481.7 · 481.7±45.0 °C(Predicted)
- Dichte
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 10.92 · 10.92±0.20(Predicted)
- Aggregatzustand
- solid
- InChI
- 1S/C10H10N2O3S/c1-3-15-10(14)7-5(2)6-8(13)11-4-12-9(6)16-7/h4H,3H2,1-2H3,(H,11,12,13)
- InChIKey
- ZPNFLBDMBNUQAI-UHFFFAOYSA-N
- SMILES
- O=C1C2=C(N=CN1)SC(C(OCC)=O)=C2C
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- wgk
- WGK 3
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter9 Anbieter
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
苏州键合化学试剂有限公司0512-69561983 13914027025 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
苏州美诺医药科技有限公司0512-69561983 13914027025 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
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