2-Thiophenesulfonyl chloride - CAS 16629-19-9
Catalog: |
BB012261 |
Product Name: |
2-Thiophenesulfonyl chloride |
CAS: |
16629-19-9 |
Synonyms: |
thiophene-2-sulfonyl chloride |
IUPAC Name: | thiophene-2-sulfonyl chloride |
Description: | 2-Thiophenesulfonyl chloride (CAS# 16629-19-9) is a compound used in the preparation of various pharmaceuticals. Thiophene-2-sulfonyl Chloride was used as an intermediate in the synthesis of β-Cell apoptosis supressor. |
Molecular Weight: | 182.65 |
Molecular Formula: | C4H3ClO2S2 |
Canonical SMILES: | C1=CSC(=C1)S(=O)(=O)Cl |
InChI: | InChI=1S/C4H3ClO2S2/c5-9(6,7)4-2-1-3-8-4/h1-3H |
InChI Key: | VNNLHYZDXIBHKZ-UHFFFAOYSA-N |
Boiling Point: | 130-132 °C (14 mmHg) |
Melting Point: | 30-32 °C |
Purity: | 98 % |
Density: | 1.58 g/cm3 |
Appearance: | Colorless to brown low melting solid or liquid |
Storage: | 2-8 °C |
MDL: | MFCD00005426 |
LogP: | 2.75640 |
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 |
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PMID | Publication Date | Title | Journal |
19325793 | 20080501 | Concerted solvent processes for common sulfonyl chloride precursors used in the synthesis of sulfonamide-based drugs | International journal of molecular sciences |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.9262994 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.9262994 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 70.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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