2-Carbomethoxy-3-thiophenesulfonyl chloride - CAS 59337-92-7
Catalog: |
BB030353 |
Product Name: |
2-Carbomethoxy-3-thiophenesulfonyl chloride |
CAS: |
59337-92-7 |
Synonyms: |
methyl 3-chlorosulfonylthiophene-2-carboxylate |
IUPAC Name: | methyl 3-chlorosulfonylthiophene-2-carboxylate |
Description: | 2-Carbomethoxy-3-thiophenesulfonyl chloride (CAS# 59337-92-7) is a useful research chemical. |
Molecular Weight: | 240.68 |
Molecular Formula: | C6H5ClO4S2 |
Canonical SMILES: | COC(=O)C1=C(C=CS1)S(=O)(=O)Cl |
InChI: | InChI=1S/C6H5ClO4S2/c1-11-6(8)5-4(2-3-12-5)13(7,9)10/h2-3H,1H3 |
InChI Key: | PJVJBDAUWILEOG-UHFFFAOYSA-N |
Boiling Point: | 364.8 °C at 760 mmHg |
Melting Point: | 63-64 °C |
Purity: | 98 % |
Density: | 1.568 g/cm3 |
MDL: | MFCD00068160 |
LogP: | 2.54300 |
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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Complexity: | 294 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.9317787 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.9317787 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 97.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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