3-Bromothiophene-2-carboxaldehyde - CAS 930-96-1
Catalog: |
BB040771 |
Product Name: |
3-Bromothiophene-2-carboxaldehyde |
CAS: |
930-96-1 |
Synonyms: |
3-bromothiophene-2-carbaldehyde |
IUPAC Name: | 3-bromothiophene-2-carbaldehyde |
Description: | 3-Bromothiophene-2-carboxaldehyde (CAS# 930-96-1) is a useful research chemical. |
Molecular Weight: | 191.05 |
Molecular Formula: | C5H3BrOS |
Canonical SMILES: | C1=CSC(=C1Br)C=O |
InChI: | InChI=1S/C5H3BrOS/c6-4-1-2-8-5(4)3-7/h1-3H |
InChI Key: | BCZHCWCOQDRYGS-UHFFFAOYSA-N |
Boiling Point: | 92 °C (5 mmHg) |
Density: | 1.81 g/cm3 |
MDL: | MFCD00126680 |
LogP: | 2.32310 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113214182-A | Benzisothiazole compound and preparation method thereof | 20210519 |
CN-112457289-A | Cyclopropyl thiophene methylamine compound or pharmaceutically acceptable salt thereof and application thereof | 20201124 |
CN-112250638-A | 1, 3-diaryl-1, 2, 4-triazole compound and preparation method and application thereof | 20201113 |
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PMID | Publication Date | Title | Journal |
21950657 | 20111027 | Discovery of 2-(4-methylfuran-2(5H)-ylidene)malononitrile and thieno[3,2-b]thiophene-2-carboxylic acid derivatives as G protein-coupled receptor 35 (GPR35) agonists | Journal of medicinal chemistry |
Complexity: | 96.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.90880 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.90880 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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