Methyl 3-Amino-5-iodothiophene-2-carboxylate - CAS 942589-45-9
Catalog: |
BB041253 |
Product Name: |
Methyl 3-Amino-5-iodothiophene-2-carboxylate |
CAS: |
942589-45-9 |
Synonyms: |
3-amino-5-iodo-2-thiophenecarboxylic acid methyl ester; methyl 3-amino-5-iodothiophene-2-carboxylate |
IUPAC Name: | methyl 3-amino-5-iodothiophene-2-carboxylate |
Description: | Methyl 3-Amino-5-iodothiophene-2-carboxylate (CAS# 942589-45-9) is a useful research chemical. |
Molecular Weight: | 283.09 |
Molecular Formula: | C6H6INO2S |
Canonical SMILES: | COC(=O)C1=C(C=C(S1)I)N |
InChI: | InChI=1S/C6H6INO2S/c1-10-6(9)5-3(8)2-4(7)11-5/h2H,8H2,1H3 |
InChI Key: | UCHQIMLGNJWRBI-UHFFFAOYSA-N |
LogP: | 2.30270 |
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 |
WO-2021114691-A1 | Nitrogen-containing ring-fused compound, preparation method therefor and use thereof | 20191213 |
US-10588894-B2 | Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease | 20170621 |
US-2019022074-A1 | Compounds that interact with the ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease | 20170621 |
US-2020054614-A1 | Compounds that interact with the ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease | 20170621 |
US-2020061037-A1 | Compounds that interact with the ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease | 20170621 |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 282.91640 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 282.91640 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 80.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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Amines and Anilines
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