trans-β-Styrenesulfonyl chloride - CAS 52147-97-4

Catalog:	BB027729
Product Name:	trans-β-Styrenesulfonyl chloride
CAS:	52147-97-4
Synonyms:	(E)-2-phenylethenesulfonyl chloride

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Computed Properties

IUPAC Name:	(E)-2-phenylethenesulfonyl chloride
Description:	trans-β-Styrenesulfonyl chloride (CAS# 52147-97-4) is a useful research chemical.
Molecular Weight:	202.66
Molecular Formula:	C8H7ClO2S
Canonical SMILES:	C1=CC=C(C=C1)C=CS(=O)(=O)Cl
InChI:	InChI=1S/C8H7ClO2S/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+
InChI Key:	ONWRSBMOCIQLRK-VOTSOKGWSA-N
MDL:	MFCD00007456
LogP:	3.30670

Publication Number	Title	Priority Date
US-2020377510-A1	Derivatives of piperlongumine and uses thereof	20190530
TW-202039468-A	Heterocyclyl pyridazine as fungicidal compounds	20181220
KR-20210106492-A	Heterocyclyl pyridazine as a fungicidal compound	20181220
EP-3645550-A2	Compstatin analogs with increased solubility and improved pharmacokinetic properties	20180406
US-2020181199-A1	Compstatin Analogs With Increased Solubility And Improved Pharmacokinetic Properties	20180406

PMID	Publication Date	Title	Journal
19330098	20081201	Correlation of the rates of solvolysis of two arenesulfonyl chlorides and of trans-beta-styrenesulfonyl chloride - precursors in the development of new pharmaceuticals	International journal of molecular sciences

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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:	245
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	201.9855283
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	201.9855283
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4