1-(1H-Imidazole-1-sulfinyl)-1H-imidazole - CAS 3005-50-3

Catalog:	BB020425
Product Name:	1-(1H-Imidazole-1-sulfinyl)-1H-imidazole
CAS:	3005-50-3
Synonyms:	1-(1-imidazolylsulfinyl)imidazole; 1-imidazol-1-ylsulfinylimidazole

Technical Data

Patents

Computed Properties

IUPAC Name:	1-imidazol-1-ylsulfinylimidazole
Description:	1-(1H-Imidazole-1-sulfinyl)-1H-imidazole (CAS# 3005-50-3 ) is a useful research chemical.
Molecular Weight:	182.20
Molecular Formula:	C6H6N4OS
Canonical SMILES:	C1=CN(C=N1)S(=O)N2C=CN=C2
InChI:	InChI=1S/C6H6N4OS/c11-12(9-3-1-7-5-9)10-4-2-8-6-10/h1-6H
InChI Key:	CNJBTSUNQWPABV-UHFFFAOYSA-N
LogP:	0.92040

Publication Number	Title	Priority Date
KR-102179846-B1	Additives composition for electrolyte of lithium secondary battery and manufacturing method thereof	20190530
KR-101742226-B1	Novel N-imidazolyl sulfoximines derivatives and its preparation	20151224
WO-2015036522-A1	Process for the preparation and isolation of (s)-3-amino-n-cyclopropyl-2,2-dialkoxyhexanamide and (s)-tert-butyl(1-(cyclopropylamino)-2,2-dialkoxy-1-oxohexan-3-yl)carbamate and use thereof for the preparation of telaprevir	20130913
JP-2013119518-A	Process for producing benzyl (S) -2-benzyl-3- (cis-hexahydro-2-isoindolinylcarbonyl) propionate	20111206
EP-2685981-B1	Pyrrolopyridazine jak3 inhibitors and their use for the treatment of inflammatory and autoimmune diseases	20110317

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Complexity:	170
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.026232
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	182.026232
Rotatable Bond Count:	2
Topological Polar Surface Area:	71.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2