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4,5-dichlorodithiazol-1-ium chloride

4,5-dichlorodithiazol-1-ium chloride - CAS 75318-43-3

Catalog:	BB035292
Product Name:	4,5-dichlorodithiazol-1-ium chloride
CAS:	75318-43-3
Synonyms:	4,5-dichlorodithiazol-1-ium;chloride; 4,5-dichlorodithiazol-1-ium;chloride

Technical Data

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Computed Properties

IUPAC Name:	4,5-dichlorodithiazol-1-ium;chloride
Description:	4,5-dichlorodithiazol-1-ium chloride (CAS# 75318-43-3) is a useful research chemical.
Molecular Weight:	208.499
Molecular Formula:	C2Cl3NS2
Canonical SMILES:	C1(=NS[S+]=C1Cl)Cl.[Cl-]
InChI:	InChI=1S/C2Cl2NS2.ClH/c3-1-2(4)6-7-5-1;/h;1H/q+1;/p-1
InChI Key:	NIZMCFUMSHISLW-UHFFFAOYSA-M
MDL:	MFCD03426194
LogP:	-0.20350

Publication Number	Title	Priority Date
EP-3658544-A1	Derivatives of luciferin and methods for their synthesis	20170725
WO-2019021202-A1	LUCIFERIN DERIVATIVES AND METHODS OF SYNTHESIS	20170725
US-2020331902-A1	Derivatives of luciferin and methods for their synthesis	20170725
US-11149034-B2	Derivatives of luciferin and methods for their synthesis	20170725
AU-2018238892-A1	Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound	20170321

PMID	Publication Date	Title	Journal
22442824	20110101	Synthesis of [(4-chloro-5H-1,2,3-dithiazol-5-ylidene)amino]azines	Molecules (Basel, Switzerland)
19633609	20090702	The reaction of 4,5-dichloro-1,2,3-dithiazolium chloride with sulfimides: a new synthesis of N-aryl-1,2,3-dithiazolimines	Molecules (Basel, Switzerland)
12583755	20030220	Novel synthesis and reactions of 5,7-dialkyl-4,6-dioxo-4,5,6,7-tetrahydro- isothiazolo[3,4,-d]pyrimidine-3-carbonitriles and 6-methyl-4-oxo-4H-1-aza-5-oxa-2- thiaindene-3-carbonitrile	Organic letters
11741793	20020201	Antimicrobial and antitumor activity of N-heteroimmine-1,2,3-dithiazoles and their transformation in triazolo-, imidazo-, and pyrazolopirimidines	Bioorganic & medicinal chemistry

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	70.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.853774
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	206.853774
Rotatable Bond Count:	0
Topological Polar Surface Area:	69.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0