2-Methyl-5-(methylsulfonyl)aniline - CAS 1671-48-3

Catalog:	BB012360
Product Name:	2-Methyl-5-(methylsulfonyl)aniline
CAS:	1671-48-3
Synonyms:	2-methyl-5-methylsulfonylaniline; 2-methyl-5-methylsulfonylaniline

Technical Data

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Computed Properties

IUPAC Name:	2-methyl-5-methylsulfonylaniline
Description:	2-Methyl-5-(methylsulfonyl)aniline (CAS# 1671-48-3) is a useful research chemical.
Molecular Weight:	185.24
Molecular Formula:	C8H11NO2S
Canonical SMILES:	CC1=C(C=C(C=C1)S(=O)(=O)C)N
InChI:	InChI=1S/C8H11NO2S/c1-6-3-4-7(5-8(6)9)12(2,10)11/h3-5H,9H2,1-2H3
InChI Key:	CVZREHYXQNAPKJ-UHFFFAOYSA-N
MDL:	MFCD09258802
LogP:	2.64270

Publication Number	Title	Priority Date
WO-2019111225-A1	Compounds and methods for the treatment of nonâ€'alcoholic steatohepatitis	20171208
CA-2952526-A1	Bet-protein inhibiting 3,4-dihydropyrido[2,3-b]pyrazinones with meta-substituted aromatic amino- or ether groups	20140618
CN-106573931-A	Bet-protein inhibiting 3,4-dihydropyrido[2,3-b]pyrazinones with meta-substituted aromatic amino- or ether groups	20140618
JP-2017519760-A	3,4-Dihydropyrido [2,3-b] pyrazinones with meta-substituted aromatic amino or ether groups that inhibit BET-proteins	20140618
US-2017121322-A1	Bet-protein inhibiting 3,4-dihydropyrido[2,3-b]pyrazinones with meta-substituted aromatic amino- or ether groups	20140618

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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:	242
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.05104977
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	185.05104977
Rotatable Bond Count:	1
Topological Polar Surface Area:	68.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1