1,1-Dioxo-1lambda6-thiochroman-4-one

CAT: 0024-sc-273502Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-273502Size:250 mg

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CAS Number

19446-96-9

Chemical Information

3,4-dihydro-2H-1lambda6-benzothiopyran-1,1,4-trione

CAS Number	19446-96-9
PubChem CID	345951
IUPAC Name	1,1-dioxo-2,3-dihydrothiochromen-4-one
Molecular Formula	C9H8O3S
Molecular Weight	196.22
XLogP	0.6
Topological Polar Surface Area	59.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	13
Formal Charge	0
Complexity	312

SMILES

C1CS(=O)(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C9H8O3S/c10-8-5-6-13(11,12)9-4-2-1-3-7(8)9/h1-4H,5-6H2

InChIKey

NNJAUTBXMFSABH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19446-96-9

CID: 345951

Formula: C9H8O3S

MW: 196.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.22
XLogP3	0.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	196.01941529
Monoisotopic Mass	196.01941529
Topological Polar Surface Area	59.6 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	312
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-298019A	2- (1,1-Dioxo-1lambda~6~,4-thiazinan-4-yl) -acetohydrazide
sc-298019	2- (1,1-Dioxo-1lambda~6~,4-thiazinan-4-yl) -acetohydrazide
sc-299194A	4- (1,1-Dioxo-1lambda~6~,4-thiazinan-4-yl) -benzenecarboxylic acid
sc-299194	4- (1,1-Dioxo-1lambda~6~,4-thiazinan-4-yl) -benzenecarboxylic acid
sc-301062	Methyl 4- (1,1-dioxo-1lambda~6~,4-thiazinan-4-yl) -benzenecarboxylate
sc-301062A	Methyl 4- (1,1-dioxo-1lambda~6~,4-thiazinan-4-yl) -benzenecarboxylate
sc-304428A	2- (1,1-Dioxo-1lambda~6~,4-thiazinan-4-yl) -benzenecarboxylic acid
sc-300541	Ethyl 2- (1,1-dioxo-1lambda~6~,4-thiazinan-4-yl) -acetate
sc-303890	1,1-Dioxo-4-phenethylamino-tetrahydro-1lambda6-thiophen-3-ol
sc-316369	4-Ethylamino-1,1-dioxo-tetrahydro-1lambda6-thiophen-3-ol

Catalog	Name
OR1048784-01	Thiochroman-4-one 1-oxide
OR1015235-01	Thiochroman-4-One
OR1071593-01	(R) -Thiochroman-4-one 1-oxide
SCA80453-01	3- (1,1-Dioxo-1lambda (6) -isothiazolidin-2-yl) -phenylamine
ULA66900-01	(4-Hydroxy-1,1-dioxo-tetrahydro-1lambda6-thiophen-3-ylamino) -acetic acid
M22245-01	2-CHLOROMETHYL-1,1-DIOXO-1,2-DIHYDRO-1LAMBDA6-BENZO[D]ISOTHIAZOL-3-ONE
SGB89305	2- (1,1-Dioxo-tetrahydro-1lambda (6) -thiophen-3-ylamino) -4-methyl-pentanoic acid
T10525-01	Thiochroman-4-one 97%
OR24043-01	4-benzyl-1lambda~6~,4-thiazinane-1,1-dione
OR24644	4-Methyl-1lambda~6~,4-thiazinane-1,1-dione