5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylic acid
Grundinformationen
- CAS
101667-97-4- Standard-SMILES
Cc1c(C(=O)O)sc2nc[nH]c(=O)c12- InChIKey
CYNGLBSDKJIAOD-UHFFFAOYSA-N- Summenformel
- C8H6N2O3S
- Durchschnittliche Molmasse
- 210,21 g/mol
- Monoisotopische Masse
- 210,00991305
Namen und Bezeichner
- Bevorzugter Name
- 5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylic acid
- IUPAC
- 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
- Englischer Name
- 5-Methyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidine-6-carboxylic acid
- Summenformel
- C8H6N2O3S
- Molmasse
- 210.21
Namen und Synonyme
5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylic acid5-methyl-4-oxo-3H,4H-thieno(2,3-d)pyrimidine-6-carboxylic acidRefChem:537147675-249-7101667-97-45-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid5-Methyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidine-6-carboxylic acid5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acidMFCD004636205-methyl-4-oxo-3,4-dihydro-thieno-[2,3-d]pyrimidine-6-carboxylic acidCHEMBL1965658Thieno[2,3-d]pyrimidine-6-carboxylic acid, 1,4-dihydro-5-methyl-4-oxo-
Weitere Namen anzeigen
5-Methyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyriMidine-6-carboxylic5-methyl-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid(SALTDATA: FREE)
CCG-125304F3250-06125-methyl-3,4-dihydrothieno[2,3-d]pyrimid-4-one-6-carboxylic acidNSC723454TimTec1_008104SCHEMBL263739SCHEMBL30987690DTXSID50328084
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,9
- Polarare Oberfläche (TPSA)
- 107 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 318
Physikochemische Eigenschaften
- Schmelzpunkt
- 300 °C · 300 °C(Solv: 1,4-dioxane (123-91-1))
- Siedepunkt
- 571.8 · 571.8±50.0 °C(Predicted)
- Dichte
- 1.76 · 1.76±0.1 g/cm3(Predicted)
- pka
- 3.72 · 3.72±0.20(Predicted)
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
H302 (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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Sicherheitsdaten
- hs_code
- 29335990
- risk_code
- 36/37/38
- safety_code
- 26-36
- hazard_class
- IRRITANT
Chemie und Industrie
Anbieter10 Anbieter
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
重庆卡兰医药有限公司[email protected]
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山东子易医药有限公司13173053288 · [email protected]
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