1-Methyl-1-tosylmethylisocyanide - CAS 58379-80-9

Catalog:	BB030022
Product Name:	1-Methyl-1-tosylmethylisocyanide
CAS:	58379-80-9
Synonyms:	1-(1-isocyanoethylsulfonyl)-4-methylbenzene; 1-(1-isocyanoethylsulfonyl)-4-methylbenzene

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Computed Properties

IUPAC Name:	1-(1-isocyanoethylsulfonyl)-4-methylbenzene
Description:	1-Methyl-1-tosylmethylisocyanide (CAS# 58379-80-9) is a useful research chemical.
Molecular Weight:	209.26
Molecular Formula:	C10H11NO2S
Canonical SMILES:	CC1=CC=C(C=C1)S(=O)(=O)C(C)[N+]#[C-]
InChI:	InChI=1S/C10H11NO2S/c1-8-4-6-10(7-5-8)14(12,13)9(2)11-3/h4-7,9H,1-2H3
InChI Key:	NGOUPILQFWOEET-UHFFFAOYSA-N
MDL:	MFCD05664017
LogP:	2.34550

Publication Number	Title	Priority Date
WO-2021155321-A2	Compounds and uses thereof	20200129
WO-2021067606-A1	Brm targeting compounds and associated methods of use	20191001
WO-2021012018-A1	Inhibitor compounds	20190724
WO-2020160100-A1	Compounds and uses thereof	20190129
US-2020031835-A1	Fused pyrazine derivatives as a2a / a2b inhibitors	20180705

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Related Functional Groups

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole

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GHS Hazard Statement:	H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	325
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	209.05104977
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	209.05104977
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.9 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7