Basic information
- CAS
18494-73-0- Standard SMILES
CC(=O)c1ccc(-c2ccc(C(C)=O)s2)s1- InChIKey
DZBDNNDXPKNUGF-UHFFFAOYSA-N- Molecular formula
- C12H10O2S2
- Average molar mass
- 250.3 g/mol
- Monoisotopic mass
- 250.01222156
Names & identifiers
- Preferred name
- 5,5'-Diacetyl-2,2'-bithiophene
- IUPAC
- 1-[5-(5-acetylthiophen-2-yl)thiophen-2-yl]ethanone
- English name
- 5,5'-DIACETYL-2,2'-BITHIENYL
- Molecular formula
- C12H10O2S2
- Molecular weight
- 250.34
Names & synonyms
18494-73-05,5'-Diacetyl-2,2'-bithiopheneDTXSID30308304RefChem:298167DTXCID602594311-[5-(5-acetylthiophen-2-yl)thiophen-2-yl]ethanone1-[5-(5-Acetyl-2-thienyl)-2-thienyl]ethanone5,5'-Diacetyl-2,2'-bithienyl1,1'-([2,2'-Bithiophene]-5,5'-diyl)diethanoneMFCD004475205,5/'-DIACETYL-2,2/'-BITHIENYLNSC203017
Show more names
SALOR-INT L164887-1EAEthanone, 1,1'-[2,2'-bithiophene]-5,5'-diylbis-1,1'-([2,2'-Bithiophene]-5,5'-diyl)bis(ethan-1-one)
1-{5'-acetyl-[2,2'-bithiophen]-5-yl}ethan-1-oneSCHEMBL1356959CHEMBL2002489DZBDNNDXPKNUGF-UHFFFAOYSA-NAKOS001027585NSC-203017NCI60_0017071,1'-(2,2'-BITHIOPHENE-5,5'-DIYL)DIETHANONE
Database identifiers
- CAS
18494-73-0- PubChem CID
- 305890
- DTXSID
DTXSID30308304- ChEMBL
CHEMBL2002489- EC Number
- 672-142-7
- Nikkaji
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 90.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 273
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers4 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Related reactions
2 records
Compound notes
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