Basic information
- CAS
56053-84-0- Standard SMILES
CCCCOC(=O)c1cccs1- InChIKey
VUSZPSYSKPXZQL-UHFFFAOYSA-N- Molecular formula
- C9H12O2S
- Average molar mass
- 184.26 g/mol
- Monoisotopic mass
- 184.05580079
Names & identifiers
- Preferred name
- Butyl 2-thenoate
- IUPAC
- butyl thiophene-2-carboxylate
- English name
- butyl 2-thenoate
- Molecular formula
- C9H12O2S
- Molecular weight
- 184.26
Names & synonyms
Butyl 2-thenoate56053-84-0Thiophene-2-carboxylic acid butyl esterbutyl thiophene-2-carboxylateEINECS 259-970-02-Thiophenecarboxylic acid, butyl esterSCHEMBL128695SCHEMBL130061Butyl 2-thiophenecarboxylate #SCHEMBL7756390SCHEMBL9499276DTXSID00204607
Show more names
NS00054568
Database identifiers
- CAS
56053-84-0- PubChem CID
- 91997
- DTXSID
DTXSID00204607- EC Number
- 259-970-0
- Nikkaji
- J191.629G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 147
Experimental & physicochemical properties
SpringerMaterials PropertiesDielectric constant
Physicochemical properties
- Boiling point
- 288.22 °C · 288.22°C (rough estimate)
- Density
- 1.2008 · 1.2008 (rough estimate)
- refractive index
- 1.548 · 1.5480 (estimate)
- LogP
- 3.429 · 3.429 (est)
Chemistry & industry
Suppliers2 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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