HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 178895485Generated: October 23, 2026
4-(2-Thienyl)-3-buten-2-one
LABOTEST-BB LT00053275 · 1-(2-THIENYL)BUT-1-EN-3-ONE · 1-(2-THIENYL)-1-BUTEN-3-ONE · 4-(2-THIENYL)-3-BUTEN-2-ONE · 4-(2-Thienyl)but-3-en-2-one · 4-Thiophen-2-yl-but-3-en-2-one · 4-(2-Thienyl)but-3-en-2-one ,97% · TRANS-4-(2-THIENYL)-3-BUTEN-2-ONE
https://huagongshe.com/en/chemical/178895485
Identifiers & Physical Properties
| CAS No. | 33603-63-3 |
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| Molecular formula | C8H8OS |
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| Average molar mass | 152.22 g/mol |
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| SMILES | CC(=O)/C=C/c1cccs1 |
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| InChIKey | CIMALVIHZVKKPE-SNAWJCMRSA-N |
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| ChEMBL | CHEMBL419920 |
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| EC No. | 867-663-3 |
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Chemical & Physical Properties
| XLogP | 1.8 |
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| Topological polar surface area | 45.3 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 2 |
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| Rotatable bonds | 2 |
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| Heavy atoms | 10 |
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| Formal charge | 0 |
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| Complexity | 151 |
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| Melting point | 25-26 °C(lit.) |
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| Boiling point | 244.7°C (rough estimate) |
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| Density | 1.151 g/mL at 25 °C(lit.) |
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| Refractive index | 1.5405 (estimate) |
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| Flash point | 230 °F |
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| Storage conditions | Storage temp. 2-8°C |
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| Appearance | Light yellow to yellow Solid |
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| Safety statements (S) | 23-24/25 |
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| Water hazard class (WGK) | 3 |
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| Customs code | 29349990 |
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Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Water hazard class (WGK) | 3 |
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| Customs code | 29349990 |
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| Safety statements (S) | 23-24/25 |
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