2-Methoxy-1-ethanesulfonyl Chloride - CAS 51517-01-2

Catalog:	BB027472
Product Name:	2-Methoxy-1-ethanesulfonyl Chloride
CAS:	51517-01-2
Synonyms:	2-methoxyethanesulfonyl chloride; 2-methoxyethanesulfonyl chloride

Technical Data

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Computed Properties

IUPAC Name:	2-methoxyethanesulfonyl chloride
Description:	2-Methoxy-1-ethanesulfonyl Chloride (CAS# 51517-01-2) is a useful research chemical.
Molecular Weight:	158.60
Molecular Formula:	C3H7ClO3S
Canonical SMILES:	COCCS(=O)(=O)Cl
InChI:	InChI=1S/C3H7ClO3S/c1-7-2-3-8(4,5)6/h2-3H2,1H3
InChI Key:	DUNNNVSEUCJEOY-UHFFFAOYSA-N
Boiling Point:	191.563 °C at 760 mmHg
Density:	1.357 g/cm³
Appearance:	Liquid
LogP:	1.28220

Publication Number	Title	Priority Date
US-2021261587-A1	STRAD-binding agents and Uses Thereof	20200130
WO-2021155004-A1	Strad-binding agents and uses thereof	20200130
WO-2021127499-A1	Protein tyrosine phosphatase inhibitors and methods of use thereof	20191218
US-2021186935-A1	Rapamycin analogs and uses thereof	20191205
WO-2021113665-A1	Rapamycin analogs and uses thereof	20191205

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	133
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	157.9804429
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	157.9804429
Rotatable Bond Count:	3
Topological Polar Surface Area:	51.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2