2-ethoxy-1,3-thiazole

• ChemBase ID: 8369
• Molecular Formular: C5H7NOS
• Molecular Mass: 129.18018
• Monoisotopic Mass: 129.02483485
• SMILES: c1nc(sc1)OCC
• Canonical SMILES: CCOc1nccs1
• InChI: InChI=1S/C5H7NOS/c1-2-7-5-6-3-4-8-5/h3-4H,2H2,1H3
• InChIKey: NDUWJHRKDYXRAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-1,3-thiazole
• IUPAC Traditional name: 2-ethoxy-1,3-thiazole
• Synonyms: 2-Ethoxythiazole; 2-Ethoxythiazole; 2-乙氧基噻唑

Database IDs

• CAS Number: 15679-19-3
• EC Number: 239-760-5
• MDL Number: MFCD00055026
• PubChem SID: 160971676; 24901651
• PubChem CID: 61809
• FEMA ID: 3340
• Council of Europe Number: 11611
• Flavis Number: 15.021

CALCULATED PROPERTIES

• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5154216
• LogD (pH = 7.4): 1.5154252
• Log P: 1.5154253
• Molar Refractivity: 31.9515 cm^3
• Polarizability: 12.516329 Å^3

PROPERTIES

Physical Property

• Boiling Point: 157-160 °C(lit.)
• Flash Point: 129.2 °F; 54 °C
• Density: 1.133 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.504(lit.)
• Organoleptic: nutty; meaty

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-36/37/38
• Safety Statements: 16-26
• TSCA Listed: false
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥99%; 98%
• Grade: Halal; Kosher
• Empirical Formula (Hill Notation): C5H7NOS

DETAILS

Sigma Aldrich - W334006

Packaging
1 kg in glass bottle
1 sample in glass bottle
25, 100 g in glass bottle