Thiolane-2,5-dione

CAT: 0024-sc-331922ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-331922ASize:5 g

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CAS Number

3194-60-3

Chemical Information

Thiolane-2,5-dione

CAS Number	3194-60-3
PubChem CID	333119
IUPAC Name	thiolane-2,5-dione
Molecular Formula	C4H4O2S
Molecular Weight	116.14
XLogP	0.1
Topological Polar Surface Area	59.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	105

SMILES

C1CC(=O)SC1=O

InChI

InChI=1S/C4H4O2S/c5-3-1-2-4(6)7-3/h1-2H2

InChIKey

INKIPSJJIQBVKP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3194-60-3

CID: 333119

Formula: C4H4O2S

MW: 116.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	116.14
XLogP3	0.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	115.99320054
Monoisotopic Mass	115.99320054
Topological Polar Surface Area	59.4 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	105
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-272035	Piperidine-2,5-dione
sc-346283	3-amino-3-methyl-1λ{6}-thiolane-1,1-dione
sc-346283A	3-amino-3-methyl-1λ{6}-thiolane-1,1-dione
sc-278338	5,5-dibenzylimidazolidine-2,4-dione
sc-345762	3- (prop-2-yn-1-ylamino) -1λ{6}-thiolane-1,1-dione hydrochloride
sc-345762A	3- (prop-2-yn-1-ylamino) -1λ{6}-thiolane-1,1-dione hydrochloride
sc-345761	3- (piperazine-1-sulfonyl) -1λ{6}-thiolane-1,1-dione hydrochloride
sc-345761A	3- (piperazine-1-sulfonyl) -1λ{6}-thiolane-1,1-dione hydrochloride
sc-347186	3-methyloxolane-2,5-dione
sc-278226	5-isopropylimidazolidine-2,4-dione

Catalog	Name
ICA47458-01	2- (Chloromethyl) -1λ6-thiolane-1,1-dione
REA15494-01	2- (2-Oxopropyl) -1λ6-thiolane-1,1-dione
OR72062-01	3- (Bromomethyl) -1lambda6-thiolane-1,1-dione
JJB79410-01	Thiolane-2-carbohydrazide
CKB76115-01	(2R,5S) -Thiolane-2,5-dicarboxylic acid
APD14500-01	3- (Aminomethyl) -2,2-dimethyl-1λ6-thiolane-1,1-dione hydrochloride
NKD39945-01	3-Ethynyl-1λ6-thiolane-1,1-dione
SAA13379-01	3- (Nitromethyl) -1λ6-thiolane-1,1-dione
DFA94582-01	Rac- (2R,5R) -Thiolane-2,5-dicarboxylic acid
OR77346-01	Thiolane-2-carboxylic acid