Methyl 2-(1-benzothiophen-3-yl)acetate
Basic information
- CAS
7597-67-3- Standard SMILES
COC(=O)Cc1csc2ccccc12- InChIKey
ODKSYEYDLVKYNI-UHFFFAOYSA-N- Molecular formula
- C11H10O2S
- Average molar mass
- 206.26 g/mol
- Monoisotopic mass
- 206.04015056
Names & identifiers
- Preferred name
- Methyl 2-(1-benzothiophen-3-yl)acetate
- IUPAC
- methyl 2-(1-benzothiophen-3-yl)acetate
- English name
- NSC42319
- Molecular formula
- C11H10O2S
- Molecular weight
- 206.26
Names & synonyms
methyl 2-(1-benzothiophen-3-yl)acetate7597-67-3NSC42319methyl benzothiophene-3-acetateSCHEMBL1470493SCHEMBL6964040DTXSID10997331ODKSYEYDLVKYNI-UHFFFAOYSA-Nmethyl benz[b]thiophen-3-ylacetatemethyl benzo[b]thiophen-3-ylacetateNSC-42319Methyl (1-benzothiophen-3-yl)acetate
Show more names
methyl 2-(benzo[b]thiophen-3-yl)acetateBenzo[b]thiophene-3-acetic acid methyl ester
DB-351758
Database identifiers
- CAS
7597-67-3- PubChem CID
- 238124
- DTXSID
DTXSID10997331- Nikkaji
- J265.577B
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 217
Related reactions
5 records
Compound notes
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