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5-(Trifluoromethyl)thiophene-2-sulfonyl Chloride

5-(Trifluoromethyl)thiophene-2-sulfonyl Chloride - CAS 954377-22-1

Catalog:	BB041724
Product Name:	5-(Trifluoromethyl)thiophene-2-sulfonyl Chloride
CAS:	954377-22-1
Synonyms:	5-(trifluoromethyl)-2-thiophenesulfonyl chloride; 5-(trifluoromethyl)thiophene-2-sulfonyl chloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-(trifluoromethyl)thiophene-2-sulfonyl chloride
Description:	5-(Trifluoromethyl)thiophene-2-sulfonyl Chloride (CAS# 954377-22-1) is a useful research chemical.
Molecular Weight:	250.65
Molecular Formula:	C5H2ClF3O2S2
Canonical SMILES:	C1=C(SC(=C1)S(=O)(=O)Cl)C(F)(F)F
InChI:	InChI=1S/C5H2ClF3O2S2/c6-13(10,11)4-2-1-3(12-4)5(7,8)9/h1-2H
InChI Key:	PWVUZSSHOGAMPC-UHFFFAOYSA-N
LogP:	3.77520

Publication Number	Title	Priority Date
AU-2007332867-A1	Substituted diazepine sulfonamides as bombesin receptor subtype-3 modulators	20061211
AU-2007332867-B2	Substituted diazepine sulfonamides as bombesin receptor subtype-3 modulators	20061211
CA-2671482-C	Substituted diazepine sulfonamides as bombesin receptor subtype-3 modulators	20061211
CN-101605788-A	Be used as the diaza sulfamide compound of the replacement of bombesin receptor hypotype-3 conditioning agent	20061211
EP-2102201-A2	Substituted diazepine sulfonamides as bombesin receptor subtype-3 modulators	20061211

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Related Functional Groups

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[123-43-3]
Sulfoacetic acid
[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[6633-90-5]
1,4-Butanedithiol diacetate
[85-47-2]
1-Naphthalenesulfonic acid
[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	281
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	249.9136838
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	249.9136838
Rotatable Bond Count:	1
Topological Polar Surface Area:	70.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9