Basic information
- CAS
4927-10-0- Standard SMILES
CC(=O)c1ccc(C(C)=O)s1- InChIKey
ATLWDAOOUUVIKP-UHFFFAOYSA-N- Molecular formula
- C8H8O2S
- Average molar mass
- 168.21 g/mol
- Monoisotopic mass
- 168.02450067
Names & identifiers
- Preferred name
- 2,5-Diacetylthiophene
- IUPAC
- 1-(5-acetylthiophen-2-yl)ethanone
- English name
- 1,1'-(thiophene-2,5-diyl)bisethan-1-one
- Molecular formula
- C8H8O2S
- Molecular weight
- 168.21
Names & synonyms
2,5-diacetylthiophene4927-10-01-(5-acetylthiophen-2-yl)ethanone1,1'-(Thiophene-2,5-diyl)bis(ethan-1-one)1,1'-(Thiophene-2,5-diyl)bisethan-1-one1,1'-(thiophene-2,5-diyl)diethanoneEINECS 225-556-31-(5-acetylthiophen-2-yl)ethan-1-oneSCHEMBL2872059DTXSID00197747ATLWDAOOUUVIKP-UHFFFAOYSA-NMFCD00224101
Show more names
1-(5-acetyl-2-thienyl)ethanone1-(5-ethanoylthiophen-2-yl)ethanoneEthanone, 1,1'-(2,5-thiophenediyl)bis-
AKOS022505063NS00031876ST504423191,1'-(Thiophene-2,5-diyl)di(ethan-1-one)1-(5-ACETYL-THIOPHEN-2-YL)-ETHANONESR-01000511030SR-01000511030-1
Database identifiers
- CAS
4927-10-0- PubChem CID
- 78638
- DTXSID
DTXSID00197747- EC Number
- 225-556-3
- Nikkaji
- J25.417G
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 62.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Melting point
- 171 · 171-173℃
- Boiling point
- 138 · 138-145 °C(Press: 5 Torr)
- Density
- 1.184 · 1.184
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers8 total
淄博百极荣创医药科技有限公司0533-6092686 13371592196 · [email protected]
上海腾彤化工科技有限公司17602173738 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
郑州汇聚化工有限公司037155153829 18003835034 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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