Methyl 3-thiophenecarboxylate - CAS 22913-26-4
Catalog: |
BB017812 |
Product Name: |
Methyl 3-thiophenecarboxylate |
CAS: |
22913-26-4 |
Synonyms: |
methyl thiophene-3-carboxylate |
IUPAC Name: | methyl thiophene-3-carboxylate |
Description: | Methyl 3-thiophenecarboxylate (CAS# 22913-26-4) is a useful research chemical. |
Molecular Weight: | 142.18 |
Molecular Formula: | C6H6O2S |
Canonical SMILES: | COC(=O)C1=CSC=C1 |
InChI: | InChI=1S/C6H6O2S/c1-8-6(7)5-2-3-9-4-5/h2-4H,1H3 |
InChI Key: | ZTRAEMILTFNZSM-UHFFFAOYSA-N |
Boiling Point: | 192.5 °C at 760 mmHg |
Density: | 1.174 g/cm3 |
Appearance: | Colorless to yellow liquid |
MDL: | MFCD06203810 |
LogP: | 1.53470 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112661754-A | Polycyclic compound for inhibiting RNA helicase DHX33 | 20201230 |
WO-2021193834-A1 | Mammal repellent | 20200325 |
CN-112812114-A | Isoxazole derivative, pharmaceutical composition containing isoxazole derivative, and preparation method and application of isoxazole derivative | 20191115 |
WO-2021028382-A1 | [1,2,4]triazolo[1,5-c]quinazolin-5-amines | 20190812 |
CN-111792990-A | Unsaturated ketone compound, preparation method and application thereof | 20190409 |
Complexity: | 114 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.00885060 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.00885060 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 54.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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