Furan-3-sulfonyl Chloride - CAS 52665-49-3

Catalog:	BB027898
Product Name:	Furan-3-sulfonyl Chloride
CAS:	52665-49-3
Synonyms:	3-furansulfonyl chloride; furan-3-sulfonyl chloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	furan-3-sulfonyl chloride
Description:	Furan-3-sulfonyl Chloride (CAS# 52665-49-3) is a useful research chemical.
Molecular Weight:	166.58
Molecular Formula:	C4H3ClO3S
Canonical SMILES:	C1=COC=C1S(=O)(=O)Cl
InChI:	InChI=1S/C4H3ClO3S/c5-9(6,7)4-1-2-8-3-4/h1-3H
InChI Key:	PCBBEIXTVWWTAK-UHFFFAOYSA-N
Boiling Point:	226.1 °C at 760 mmHg
Density:	1.529 g/cm³
MDL:	MFCD08271875
LogP:	2.28790

Publication Number	Title	Priority Date
WO-2021127499-A1	Protein tyrosine phosphatase inhibitors and methods of use thereof	20191218
WO-2019246513-A1	Protein tyrosine phosphatase inhibitors and methods of use thereof	20180621
TW-202016082-A	Protein tyrosine phosphatase inhibitor and method of use	20180621
AU-2019290197-A1	Protein tyrosine phosphatase inhibitors and methods of use thereof	20180621
EP-3810580-A1	Protein tyrosine phosphatase inhibitors and methods of use thereof	20180621

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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:	181
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.9491428
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	165.9491428
Rotatable Bond Count:	1
Topological Polar Surface Area:	55.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1