HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 178737977Generated: October 23, 2026
1-(Thiophen-2-YL)but-3-EN-1-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 · 1-(2-Thienyl)-3-buten-1-one · 3-Buten-1-one, 1-(2-thienyl)- · 1-thiophen-2-yl-but-3-en-1-one
https://huagongshe.com/en/chemical/178737977
Identifiers & Physical Properties
| CAS No. | 99768-07-7 |
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| Molecular formula | C8H8OS |
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| Average molar mass | 152.22 g/mol |
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| SMILES | C=CCC(=O)c1cccs1 |
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| InChIKey | OOMAIWHVJLIDNZ-UHFFFAOYSA-N |
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Chemical & Physical Properties
| XLogP | 2 |
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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 | 3 |
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| Heavy atoms | 10 |
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| Formal charge | 0 |
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| Complexity | 142 |
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| Melting point | 25-26 °C(lit.) |
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| Boiling point | 104.5-105 °C(Press: 3 Torr) |
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| Density | 1.151 g/mL at 25 °C(lit.) |
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| Flash point | 230 °F |
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| Safety statements (S) | 23-24/25 |
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| UN transport number | UN 3335 |
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| Water hazard class (WGK) | 3 |
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Safety & Regulations
| Water hazard class (WGK) | 3 |
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| UN transport number | UN 3335 |
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| Safety statements (S) | 23-24/25 |
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