Thiophene-3-sulfonyl Chloride - CAS 51175-71-4

Catalog:	BB027359
Product Name:	Thiophene-3-sulfonyl Chloride
CAS:	51175-71-4
Synonyms:	3-thiophenesulfonyl chloride; thiophene-3-sulfonyl chloride

Technical Data

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Computed Properties

IUPAC Name:	thiophene-3-sulfonyl chloride
Description:	Thiophene-3-sulfonyl Chloride (CAS# 51175-71-4) is a useful research chemical.
Molecular Weight:	182.65
Molecular Formula:	C4H3ClO2S2
Canonical SMILES:	C1=CSC=C1S(=O)(=O)Cl
InChI:	InChI=1S/C4H3ClO2S2/c5-9(6,7)4-1-2-8-3-4/h1-3H
InChI Key:	YSPWSQNKRBSICH-UHFFFAOYSA-N
Boiling Point:	101-103 °C
Density:	1.58 g/cm³
MDL:	MFCD02682011
LogP:	2.75640

Publication Number	Title	Priority Date
WO-2021165346-A1	Gcn2 modulator compounds	20200217
WO-2021127499-A1	Protein tyrosine phosphatase inhibitors and methods of use thereof	20191218
WO-2021097057-A1	5-membered heteroarylaminosulfonamides for treating conditions mediated by deficient cftr activity	20191112
WO-2020148703-A1	Compounds and compositions for the treatment of cystic fibrosis	20190116
WO-2019246513-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:	181.9262994
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	181.9262994
Rotatable Bond Count:	1
Topological Polar Surface Area:	70.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6