Methyl 3-Iodothiophene-2-carboxylate - CAS 62353-77-9
Catalog: |
BB031546 |
Product Name: |
Methyl 3-Iodothiophene-2-carboxylate |
CAS: |
62353-77-9 |
Synonyms: |
3-iodo-2-thiophenecarboxylic acid methyl ester; methyl 3-iodothiophene-2-carboxylate |
IUPAC Name: | methyl 3-iodothiophene-2-carboxylate |
Description: | Methyl 3-Iodothiophene-2-carboxylate (CAS# 62353-77-9) is a useful research chemical. |
Molecular Weight: | 268.07 |
Molecular Formula: | C6H5IO2S |
Canonical SMILES: | COC(=O)C1=C(C=CS1)I |
InChI: | InChI=1S/C6H5IO2S/c1-9-6(8)5-4(7)2-3-10-5/h2-3H,1H3 |
InChI Key: | OQVZCJDXKDUWDY-UHFFFAOYSA-N |
MDL: | MFCD03407485 |
LogP: | 2.13930 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-109563094-A | Acyclic derivatives, their preparation method and the pharmaceutical composition containing them that new (miscellaneous) aryl replaces | 20160610 |
CN-107531704-A | Five-membered ring heterocycle with sulphur substitution kills harmful organism activity Polycyclic derivative | 20150424 |
CN-108040481-A | Five-membered ring heterocycle with sulphur substitution kills harmful organism activity Polycyclic derivative | 20150424 |
EP-2952503-A1 | Hiv replication inhibitor | 20130131 |
EP-2952503-B1 | Carboxylic acid derivatives as hiv replication inhibitor | 20130131 |
PMID | Publication Date | Title | Journal |
15248457 | 20040601 | [Thieno[2,3-c]quinolines - synthesis and biological investigation] | Die Pharmazie |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.90550 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.90550 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 54.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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