Basic information
- CAS
36155-78-9- Standard SMILES
CCC(=O)c1cc(Br)cs1- InChIKey
YTAOZIHQEPBPQQ-UHFFFAOYSA-N- Molecular formula
- C7H7BrOS
- Average molar mass
- 219.1 g/mol
- Monoisotopic mass
- 217.94009794
Names & identifiers
- Preferred name
- 4-Bromo-2-propionylthiophene
- IUPAC
- 1-(4-bromothiophen-2-yl)propan-1-one
- English name
- 4-Bromo-2-propionylthiophene
- Molecular weight
- 0
Names & synonyms
36155-78-94-BROMO-2-PROPIONYLTHIOPHENEDTXSID40356013RefChem:290782DTXCID103070721-(4-bromothiophen-2-yl)propan-1-one1-(4-bromo-2-thienyl)propan-1-one1-(4-bromo-2-thienyl)-1-propanoneSCHEMBL5530844-bromo-2-thienyl ethyl ketoneYTAOZIHQEPBPQQ-UHFFFAOYSA-NAKOS013628757
Show more names
1-(4-bromo-2-thiophenyl)-1-propanoneDA-31075CS-0363630F754460
Database identifiers
- CAS
36155-78-9- PubChem CID
- 818932
- DTXSID
DTXSID40356013- Nikkaji
- J854.487E
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers6 total
南京翔睿科技有限公司021-021-00000000 15715199582
安徽合诺生物科技有限公司0555-2761852
安徽合诺生物科技有限公司18455579438
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
6 records
Compound notes
Loading…