Basic information
- CAS
13771-70-5- Standard SMILES
CCOC(=O)c1cc2cc(I)ccc2s1- InChIKey
BZSXRTIPOXRLPU-UHFFFAOYSA-N- Molecular formula
- C11H9IO2S
- Average molar mass
- 332.16 g/mol
- Monoisotopic mass
- 331.93679853
Names & identifiers
- Preferred name
- Ethyl 5-iodobenzo[b]thiophene-2-carboxylate
- IUPAC
- ethyl 5-iodo-1-benzothiophene-2-carboxylate
- English name
- Benzo[b]thiophene-2-carboxylic acid, 5-iodo-, ethyl ester
- Molecular formula
- C11H9IO2S
- Molecular weight
- 332.16
Names & synonyms
13771-70-5ethyl 5-iodobenzo[b]thiophene-2-carboxylate5-iodo-benzo[b]thiophene-2-carboxylic acid ethyl esterMFCD25958656Benzo[b]thiophene-2-carboxylic acid, 5-iodo-, ethyl esterEthyl 5-Iodobenzothiophene-2-carboxylateETHYL 5-IODO-1-BENZOTHIOPHENE-2-CARBOXYLATESCHEMBL1882906SCHEMBL30599858DTXSID90477429BZSXRTIPOXRLPU-UHFFFAOYSA-NAT47590
Show more names
SY3718035-iodo -benzo[b]thiophene-2-carboxylic acid ethyl ester
Database identifiers
- CAS
13771-70-5- PubChem CID
- 12094044
- DTXSID
DTXSID90477429
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 247
Chemistry & industry
Suppliers5 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海药砌源生物科技有限公司15026428026 19002516454 · [email protected]
上海奈亦斯生物科技有限公司18321139117 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
10 records
Compound notes
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