3H-1,2-Benzodithiol-3-one-1,1-dioxide - CAS 66304-01-6

Name: 3H-1,2-Benzodithiol-3-one-1,1-dioxide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB032981
Product Name:	3H-1,2-Benzodithiol-3-one-1,1-dioxide
CAS:	66304-01-6
Synonyms:	1,1-dioxo-1$l^{6},2-benzodithiol-3-one; 1,1-dioxo-1$l^{6},2-benzodithiol-3-one

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	1,1-dioxo-1λ6,2-benzodithiol-3-one
Description:	3H-1,2-Benzodithiol-3-one 1,1-Dioxide (CAS# 66304-01-6) is a useful research chemical compound.
Molecular Weight:	200.23
Molecular Formula:	C7H4O3S2
Canonical SMILES:	C1=CC=C2C(=C1)C(=O)SS2(=O)=O
InChI:	InChI=1S/C7H4O3S2/c8-7-5-3-1-2-4-6(5)12(9,10)11-7/h1-4H
InChI Key:	JUDOLRSMWHVKGX-UHFFFAOYSA-N
Boiling Point:	414.6 °C at 760 mmHg
Purity:	90.0%
Density:	1.653 g/cm³
MDL:	MFCD00132960
LogP:	2.34310

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[17746-05-3]C11H21ClO
Undecanoyl chloride
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[927676-51-5]C10H6BrNO3
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid
[1016519-61-1]C8H10N2O2
2-(Methyl-2-pyridylamino)acetic Acid

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WO-2021210408-A1	Method for producing nucleic acid oligomer	20200414
WO-2021210409-A1	Composition containing nucleic acid oligomer	20200414

PMID	Publication Date	Title	Journal
20204198	20100321	Thiol-dependent DNA cleavage by aminomethylated Beaucage's reagent	Organic & biomolecular chemistry
18586869	20080601	Antagonistic interaction between systemic acquired resistance and the abscisic acid-mediated abiotic stress response in Arabidopsis	The Plant cell
12537492	20030129	Solid-phase chemical synthesis of phosphonoacetate and thiophosphonoacetate oligodeoxynucleotides	Journal of the American Chemical Society
11092540	20001101	Inactivation of the human papillomavirus-16 E6 oncoprotein by organic disulfides	Bioorganic & medicinal chemistry
5641	19760501	Calcium ion effects on guanylate cyclase of brain	Life sciences

Complexity:	301
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.96018633
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	199.96018633
Rotatable Bond Count:	0
Topological Polar Surface Area:	84.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1