Basic information
- CAS
3515-18-2- Standard SMILES
CC(=O)c1ccc(-c2cccs2)s1- InChIKey
GKGAOTYPISAEEK-UHFFFAOYSA-N- Molecular formula
- C10H8OS2
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.00165688
Names & identifiers
- Preferred name
- 5-Acetyl-2,2'-bithienyl
- IUPAC
- 1-(5-thiophen-2-ylthiophen-2-yl)ethanone
- English name
- 5-ACETYL-2,2'-BITHIENYL
- Molecular formula
- C10H8OS2
- Molecular weight
- 208.3
Names & synonyms
5-ACETYL-2,2'-BITHIENYLRefChem:531870893-315-53515-18-21-(5-thiophen-2-ylthiophen-2-yl)ethanone5-Acetyl-2,2'-bithiophene1-([2,2'-Bithiophen]-5-yl)ethanone1-(2,2'-Bithiophen-5-yl)ethanone1-{[2,2'-bithiophen]-5-yl}ethan-1-oneMFCD004646591-[5-(thiophen-2-yl)thiophen-2-yl]ethan-1-one1-[2,2']Bithiophenyl-5-yl-ethanone
Show more names
5-Acetyl-25-Acetyl-2,2-BITHIOPHENEAKOS BAR-07525-ACETYL-2,2ÕSALOR-INT L164879-1EA5-acetyl-2,2'-dithiophene5-Acetyl-2,2'-bithienyl,97%2-ACETYL-5-(THIEN-2-YL)THIOPHENE
1-[5-(2-thienyl)-2-thienyl]ethanoneMLS0010491231-([2,2'-Bithiophen]-5-yl)ethan-1-one1-[2,2'-Bithiophen]-5-ylethanoneSMR0002128052-acetyl-5-(2-thienyl)thiophene5-Acetyl-2,2-bithienylMaybridge1_007260
Database identifiers
- CAS
3515-18-2- PubChem CID
- 606422
- DTXSID
DTXSID40345689- ChEMBL
CHEMBL1345360- EC Number
- 893-315-5
- Nikkaji
- J79.812F
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Melting point
- 109 · 109-114 °C
- Boiling point
- 363.4 · 363.4±32.0 °C(Predicted)
- Density
- 1.26 · 1.260±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator (+4°C)
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Danger
- Hazard statements
- 225 · H225-H315-H319
- Precautionary statements
- 210 · P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
- Hazard Codes
- Xn
- Risk Statements
- 36 · 36/37/38-20/21/22
- Safety Statements
- 36 · 36/37/39-26-22
- HS Code
- 29309099 · 29309099
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 (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
- hs_code
- 29309099
- risk_code
- 36/37/38-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS02
- hazard_code
- Xn
- safety_code
- 36/37/39-26-22
- Hazard statements
- H225-H315-H319
- Precautionary statements
- P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
Chemistry & industry
Suppliers25 total
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京大田丰拓化学技术有限公司13651141086 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
深圳法默科技有限公司0755-86648230 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
天津安浩生物科技有限公司[email protected]
Related reactions
12 records
Compound notes
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