Methyl 5-iodothiophene-2-carboxylate
PubChem CID
13156399
Structure
Molecular Formula
Synonyms
- Methyl 5-iodothiophene-2-carboxylate
- 88105-22-0
- MFCD18072497
- DTXSID60522894
- 2-Thiophenecarboxylic acid, 5-iodo-, methyl ester
Molecular Weight
268.07 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2007-02-08
- Modify:2024-12-28
Chemical Structure Depiction
methyl 5-iodothiophene-2-carboxylate
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C6H5IO2S/c1-9-6(8)4-2-3-5(7)10-4/h2-3H,1H3
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
BRDYIIWMXMXTOD-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
COC(=O)C1=CC=C(S1)I
Computed by OEChem 2.1.5 (PubChem release 2019.06.18)
C6H5IO2S
Computed by PubChem 2.1 (PubChem release 2019.06.18)
88105-22-0
- Methyl 5-iodothiophene-2-carboxylate
- 88105-22-0
- MFCD18072497
- DTXSID60522894
- 2-Thiophenecarboxylic acid, 5-iodo-, methyl ester
- 5-iodo-2-Thiophenecarboxylic acid methyl ester
- SCHEMBL2547978
- DTXCID50473700
- BRDYIIWMXMXTOD-UHFFFAOYSA-N
- Methyl5-iodothiophene-2-carboxylate
- methyl 5-iodo-2-thiophenecarboxylate
- AKOS017557687
- DS-3144
- SY284519
- DB-077189
- CS-0150803
- C76903
- 5-Iodo-thiophene-2-carboxylic acid methyl ester
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
268.07 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
2.5
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
267.90550 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
267.90550 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
54.5Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
10
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
140
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2010.01.29)
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Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
PubMed Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=BRDYIIWMXMXTOD-UHFFFAOYSA-N
- EPA DSSToxMethyl 5-iodothiophene-2-carboxylatehttps://comptox.epa.gov/dashboard/DTXSID60522894
- Japan Chemical Substance Dictionary (Nikkaji)
- Springer Nature
- WikidataMethyl 5-iodothiophene-2-carboxylatehttps://www.wikidata.org/wiki/Q82388567
- PubChem
- PATENTSCOPE (WIPO)SID 388929197https://pubchem.ncbi.nlm.nih.gov/substance/388929197
CONTENTS