Basic information
- Standard SMILES
C=CCC(=O)c1cccs1- InChIKey
OOMAIWHVJLIDNZ-UHFFFAOYSA-N- Molecular formula
- C8H8OS
- Average molar mass
- 152.22 g/mol
Names & identifiers
- Preferred name
- 1-(Thiophen-2-YL)but-3-EN-1-one
- IUPAC
- 1-thiophen-2-ylbut-3-en-1-one
- English name
- 4-(2-THIENYL)BUT-3-EN-2-ONE
- Molecular formula
- C8H8OS
- Molecular weight
- 152.21
Names & synonyms
1-(THIOPHEN-2-YL)BUT-3-EN-1-ONE2-thienyl allyl ketonestarbld0004303SCHEMBL758450AKOS010638152LABOTEST-BB LT000532751-(2-THIENYL)BUT-1-EN-3-ONE1-(2-THIENYL)-1-BUTEN-3-ONE4-(2-THIENYL)-3-BUTEN-2-ONE4-(2-THIENYL)BUT-3-EN-2-ONE1-(2-Thienyl)-3-buten-1-one3-Buten-1-one, 1-(2-thienyl)-
Show more names
1-thiophen-2-yl-but-3-en-1-oneTRANS-4-(2-THIENYL)-3-BUTEN-2-ONE(E)-4-(THIOPHEN-2-YL)BUT-3-EN-2-ONE
Database identifiers
- CAS
99768-07-7- Nikkaji
- J2.536.904A
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 142
Physicochemical properties
- Melting point
- 25 · 25-26 °C(lit.)
- Boiling point
- 104.5 · 104.5-105 °C(Press: 3 Torr)
- Density
- 1.151 g/mL · 1.151 g/mL at 25 °C(lit.)
- Flash point
- 230 °F · 230 °F
- Safety Statements
- 23 · 23-24/25
- RIDADR
- 3335 · UN 3335
- WGK Germany
- 3 · 3
Safety & regulation
Safety data
- wgk
- 3
- ridadr
- UN 3335
- safety_code
- 23-24/25
Chemistry & industry
Suppliers2 total
HBCChem, Inc.+1-510-219-6317 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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