1-Benzothiophene-2-sulfonyl Chloride - CAS 90001-64-2
Catalog: |
BB039729 |
Product Name: |
1-Benzothiophene-2-sulfonyl Chloride |
CAS: |
90001-64-2 |
Synonyms: |
1-benzothiophene-2-sulfonyl chloride; 1-benzothiophene-2-sulfonyl chloride |
IUPAC Name: | 1-benzothiophene-2-sulfonyl chloride |
Description: | 1-Benzothiophene-2-sulfonyl Chloride (CAS# 90001-64-2) is a useful research chemical. |
Molecular Weight: | 232.71 |
Molecular Formula: | C8H5ClO2S2 |
Canonical SMILES: | C1=CC=C2C(=C1)C=C(S2)S(=O)(=O)Cl |
InChI: | InChI=1S/C8H5ClO2S2/c9-13(10,11)8-5-6-3-1-2-4-7(6)12-8/h1-5H |
InChI Key: | FKIIVBOPAHICHQ-UHFFFAOYSA-N |
Boiling Point: | 369.2 °C at 760 mmHg |
Density: | 1.554 g/cm3 |
Appearance: | Solid |
LogP: | 3.90960 |
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 |
WO-2021123237-A1 | 2-amino-n-(amino-oxo-aryl-lambda6-sulfanylidene)acetamide compounds and their therapeutic use | 20191219 |
EP-3821947-A1 | Heterocyclic trpml1 agonists | 20191113 |
WO-2021094974-A1 | Heterocyclic trpml1 agonists | 20191113 |
US-2021147386-A1 | Pyrrolidine and piperidine compounds | 20191106 |
WO-2021090245-A1 | Pyrrolidine and piperidine compounds | 20191106 |
Complexity: | 283 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.9419494 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.9419494 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 70.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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