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Tetrahydro-2H-thiopyran-4-carboxylic Acid 1,1-Dioxide

Tetrahydro-2H-thiopyran-4-carboxylic Acid 1,1-Dioxide - CAS 64096-87-3

Catalog:	BB032368
Product Name:	Tetrahydro-2H-thiopyran-4-carboxylic Acid 1,1-Dioxide
CAS:	64096-87-3
Synonyms:	1,1-dioxo-4-thianecarboxylic acid; 1,1-dioxothiane-4-carboxylic acid

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Catalog	Size	Price	Stock	Quantity
BB032368	100 g	$1099	In stock

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Technical Data

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Computed Properties

IUPAC Name:	1,1-dioxothiane-4-carboxylic acid
Description:	Tetrahydro-2H-thiopyran-4-carboxylic Acid 1,1-Dioxide (CAS# 64096-87-3) is a useful research chemical.
Molecular Weight:	178.21
Molecular Formula:	C6H10O4S
Canonical SMILES:	C1CS(=O)(=O)CCC1C(=O)O
InChI:	InChI=1S/C6H10O4S/c7-6(8)5-1-3-11(9,10)4-2-5/h5H,1-4H2,(H,7,8)
InChI Key:	RPJRJUVGGDVVDF-UHFFFAOYSA-N
MDL:	MFCD03102802
LogP:	0.97660

Publication Number	Title	Priority Date
WO-2021194908-A1	Modified dipeptide cleavases, uses thereof and related kits	20200324
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WO-2020231713-A1	AGONISTS OF ROR GAMMAt	20190513
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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

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:	234
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.02997997
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	178.02997997
Rotatable Bond Count:	1
Topological Polar Surface Area:	79.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4