2-Thiophenecarbonyl chloride - CAS 5271-67-0
Catalog: |
BB027915 |
Product Name: |
2-Thiophenecarbonyl chloride |
CAS: |
5271-67-0 |
Synonyms: |
thiophene-2-carbonyl chloride |
IUPAC Name: | thiophene-2-carbonyl chloride |
Description: | 2-Thiophenecarbonyl chloride (CAS# 5271-67-0) is a useful research chemical. |
Molecular Weight: | 146.59 |
Molecular Formula: | C5H3ClOS |
Canonical SMILES: | C1=CSC(=C1)C(=O)Cl |
InChI: | InChI=1S/C5H3ClOS/c6-5(7)4-2-1-3-8-4/h1-3H |
InChI Key: | QIQITDHWZYEEPA-UHFFFAOYSA-N |
Boiling Point: | 205-208 °C |
Purity: | 95 % |
Density: | 1.372 g/cm3 |
Appearance: | Clear to slightly yellowish crystals |
Storage: | 2-8 °C |
MDL: | MFCD00005428 |
LogP: | 2.12710 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-3821947-A1 | Heterocyclic trpml1 agonists | 20191113 |
WO-2021094974-A1 | Heterocyclic trpml1 agonists | 20191113 |
WO-2021058969-A1 | Triphenylene derivatives for use in imaging biological tissue or fluid | 20190924 |
WO-2021058970-A1 | Polymers | 20190924 |
WO-2021042410-A1 | Selective butyrylcholinesterase inhibitor or pharmaceutically acceptable salt thereof, preparation method therefor and application thereof | 20190905 |
PMID | Publication Date | Title | Journal |
22412634 | 20120301 | 2-Methyl-3-(2-methyl-phen-yl)-4-oxo-3,4-dihydro-quinazolin-8-yl thio-phene-2-carboxyl-ate | Acta crystallographica. Section E, Structure reports online |
21522636 | 20101215 | N-(4-{4-[2-(Trifluoro-meth-oxy)phen-yl]piperazin-1-yl}but-yl)thio-phene-2-carboxamide dihydrate | Acta crystallographica. Section E, Structure reports online |
20559514 | 20100525 | Use of empirical correlations to determine solvent effects in the solvolysis of S-methyl chlorothioformate | International journal of molecular sciences |
21579205 | 20100424 | 1-(4-Chloro-phen-yl)-3-(2-thienylcarbon-yl)thio-urea | Acta crystallographica. Section E, Structure reports online |
21578006 | 20090930 | 1-(4-Bromo-phen-yl)-3-(2-thienylcarbon-yl)thio-urea | Acta crystallographica. Section E, Structure reports online |
Complexity: | 105 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 145.9593136 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 145.9593136 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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