N-(2-Bromoethyl)methanesulfonamide - CAS 63132-74-1

Catalog:	BB032014
Product Name:	N-(2-Bromoethyl)methanesulfonamide
CAS:	63132-74-1
Synonyms:	N-(2-bromoethyl)methanesulfonamide; N-(2-bromoethyl)methanesulfonamide

Technical Data

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Computed Properties

IUPAC Name:	N-(2-bromoethyl)methanesulfonamide
Description:	N-(2-Bromoethyl)methanesulfonamide (CAS# 63132-74-1) is a useful research chemical.
Molecular Weight:	202.07
Molecular Formula:	C3H8BrNO2S
Canonical SMILES:	CS(=O)(=O)NCCBr
InChI:	InChI=1S/C3H8BrNO2S/c1-8(6,7)5-3-2-4/h5H,2-3H2,1H3
InChI Key:	BXVCFLARGCBLEP-UHFFFAOYSA-N
Boiling Point:	263.1 °C at 760 mmHg
Density:	1.668 g/cm³
LogP:	1.40220

Publication Number	Title	Priority Date
WO-2021190727-A1	Compounds and their use in the treatment of bacterial infection	20200324
US-2021171531-A1	Masp-2 inhibitors and methods of use	20191204
WO-2021113682-A1	Masp-2 inhibitors and methods of use	20191204
WO-2020134921-A1	Amino quinazolinone, amino isoquinolone derivatives and application thereof	20181225
WO-2020094156-A1	Diheterocycle-substituted pyridine-2(1h)-ketone derivative, preparation method therefore and pharmaceutical use thereof	20181111

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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+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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:	54.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1