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

Technical Data

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Computed Properties

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

Publication Number	Title	Priority Date
CN-111646987-A	5-aminothiazole non-steroidal anti-inflammatory compound and preparation method and application thereof	20200605
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WO-2021123237-A1	2-amino-n-(amino-oxo-aryl-lambda6-sulfanylidene)acetamide compounds and their therapeutic use	20191219
WO-2020254697-A1	Fused 1,2 thiazoles and 1,2 thiazines which act as nl3p3 modulators	20190621
CN-109761980-B	3-aminosulfonylamino-substituted rutaecarpine derivative and preparation method and application thereof	20190219

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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

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