3-Bromopropane-1-sulfonamide - CAS 88496-95-1

Catalog:	BB038891
Product Name:	3-Bromopropane-1-sulfonamide
CAS:	88496-95-1
Synonyms:	3-bromo-1-propanesulfonamide; 3-bromopropane-1-sulfonamide

Technical Data

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Computed Properties

IUPAC Name:	3-bromopropane-1-sulfonamide
Description:	3-Bromopropane-1-sulfonamide (CAS# 88496-95-1) is a useful research chemical.
Molecular Weight:	202.07
Molecular Formula:	C3H8BrNO2S
Canonical SMILES:	C(CS(=O)(=O)N)CBr
InChI:	InChI=1S/C3H8BrNO2S/c4-2-1-3-8(5,6)7/h1-3H2,(H2,5,6,7)
InChI Key:	FYOYUUWBYQOIKW-UHFFFAOYSA-N
LogP:	1.84100

Publication Number	Title	Priority Date
WO-2020025517-A1	Tlr7/8 antagonists and uses thereof	20180731
TW-202019899-A	TLR7/8 antagonists and their uses	20180731
CN-112513024-A	TLR7/8 antagonists and uses thereof	20180731
KR-20210040085-A	TLR7/8 antagonist and uses thereof	20180731
EP-3830080-A1	Tlr7/8 antagonists and uses thereof	20180731

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
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[1427004-19-0]
DBCO-PEG4-NHS ester
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)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:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.94591
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	200.94591
Rotatable Bond Count:	3
Topological Polar Surface Area:	68.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0