Bromomethanesulfonamide - CAS 53412-78-5

Catalog:	BB028206
Product Name:	Bromomethanesulfonamide
CAS:	53412-78-5
Synonyms:	bromomethanesulfonamide; bromomethanesulfonamide

Technical Data

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Computed Properties

IUPAC Name:	bromomethanesulfonamide
Description:	Bromomethanesulfonamide (CAS# 53412-78-5) is a useful research chemical.
Molecular Weight:	174.02
Molecular Formula:	CH4BrNO2S
Canonical SMILES:	C(S(=O)(=O)N)Br
InChI:	InChI=1S/CH4BrNO2S/c2-1-6(3,4)5/h1H2,(H2,3,4,5)
InChI Key:	WKNONNGLPOBGEZ-UHFFFAOYSA-N
LogP:	1.40840

Publication Number	Title	Priority Date
WO-2021083438-A1	Inhibitors of purine nucleoside phosphorylase - synthesis and use thereof for treatment of t-cell acute lymphoblastic leukemia and lymphoma	20191030
WO-2021062089-A1	Xanthine cb1 inhibitors	20190925
JP-6925435-B2	Methods for treating pyrimidinyl-pyridyloxy-naphthyl compounds and IRE1-related diseases and disorders	20170317
US-10647725-B2	Anti-infective 2-aminothiophenes	20160421
US-2019119296-A1	Anti-Infective 2-Aminothiophenes	20160421

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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, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.91461
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	172.91461
Rotatable Bond Count:	1
Topological Polar Surface Area:	68.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2