3-Butyne-1-sulfonamide - CAS 1341659-00-4

Catalog:	BB007882
Product Name:	3-Butyne-1-sulfonamide
CAS:	1341659-00-4
Synonyms:	3-butyne-1-sulfonamide; but-3-yne-1-sulfonamide

Technical Data

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Patents

Computed Properties

IUPAC Name:	but-3-yne-1-sulfonamide
Description:	3-Butyne-1-sulfonamide (CAS# 1341659-00-4) is a useful research chemical.
Molecular Weight:	133.17
Molecular Formula:	C4H7NO2S
Canonical SMILES:	C#CCCS(=O)(=O)N
InChI:	InChI=1S/C4H7NO2S/c1-2-3-4-8(5,6)7/h1H,3-4H2,(H2,5,6,7)
InChI Key:	LOWUPGMIWCDQKL-UHFFFAOYSA-N
LogP:	1.07930

Publication Number	Title	Priority Date
EP-3584249-A1	Gold (i)-phosphine 1,2,3-triazole derivatives with antiobiotic properties	20180619
WO-2019243273-A1	Gold (i)-phosphine 1,2,3-triazole derivatives with antiobiotic properties	20180619
EP-3810618-A1	Gold (i)-phosphine 1,2,3-triazole derivatives with antibiotic properties	20180619
US-2021284668-A1	Gold (i)-phosphine 1,2,3-triazole derivatives with antibiotic properties	20180619
EP-3473618-A1	6-substituted 3-fluoro-2-pyridinaldoxime, 3-fluoro-2-pyridine hydroxamic acid, and 3-fluoro-2-pyridinamidoxime scaffolds	20171017

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Related Functional Groups

Carbonyl Compounds

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[91552-11-3]
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2-(6-Bromo-3-indolyl)-2-oxoacetic Acid
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	190
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	133.01974964
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	133.01974964
Rotatable Bond Count:	2
Topological Polar Surface Area:	68.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.5