Grundinformationen
- Standard-SMILES
CSc1nc(C(=O)O)cc(C2CC2)n1- InChIKey
CTIULVWBXFFROZ-UHFFFAOYSA-N- Summenformel
- C9H10N2O2S
- Durchschnittliche Molmasse
- 210,26 g/mol
- Monoisotopische Masse
- 210,04629874
Namen und Bezeichner
- Bevorzugter Name
- 6-Cyclopropyl-2-(methylsulfanyl)pyrimidine-4-carboxylic acid
- IUPAC
- 6-cyclopropyl-2-methylsulfanylpyrimidine-4-carboxylic acid
Namen und Synonyme
6-cyclopropyl-2-(methylsulfanyl)pyrimidine-4-carboxylic acid1118787-11-3RefChem:542046877-990-36-cyclopropyl-2-methylsulfanylpyrimidine-4-carboxylic acidSCHEMBL9957334CTIULVWBXFFROZ-UHFFFAOYSA-NTUB78711AKOS023597855CCG-299959CS-0249031EN300-42246
Weitere Namen anzeigen
6-cyclopropyl-2-(methylthio)pyrimidine-4-carboxylic acidZ4257974826-cyclopropyl-2-(methylsulfanyl)pyrimidine-4-carboxylicacid6-cyclopropyl-2-methylsulfanyl-pyrimidine-4-carboxylic acid
Datenbank-Bezeichner
- CAS
1118787-11-3- PubChem CID
- 39870841
- EC Number
- 877-990-3
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,5
- Polarare Oberfläche (TPSA)
- 88,4 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 233
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Zugehörige Reaktionen
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