2,4-Butanesultone

CAT: 0127-OR1024724-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1024724-01Size:1 g

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CAS Number

1121-03-5

Synonyms

3-methyloxathiolane 2,2-dioxide

Purity

98%

Smiles

CC1CCOS1(=O)=O

Chemical Information

1,2-Oxathiolane, 3-methyl-, 2,2-dioxide

CAS Number	1121-03-5
PubChem CID	70716
IUPAC Name	3-methyloxathiolane 2,2-dioxide
Molecular Formula	C4H8O3S
Molecular Weight	136.17
XLogP	0.2
Topological Polar Surface Area	51.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	164

SMILES

CC1CCOS1(=O)=O

InChI

InChI=1S/C4H8O3S/c1-4-2-3-7-8(4,5)6/h4H,2-3H2,1H3

InChIKey

VWEYDBUEGDKEHC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1121-03-5

CID: 70716

Formula: C4H8O3S

MW: 136.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	136.17
XLogP3	0.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	136.01941529
Monoisotopic Mass	136.01941529
Topological Polar Surface Area	51.8 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	164
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR350023-01	1,4-Butanesultone
PC1008376-01	2,2,2-Trifluoroethyl 4,4,4-trifluorobutyrate
OR1004938-01	2,2',4,4'-Tetranitrodiphenylmethane
OR948311	2,2,4,4-Tetramethylcyclopentanone
OR1055271-01	2,2,4,4-Tetrachlorodibenzylether
OR1026768-01	2,2,4,4-Tetramethylpentane
PC450330	2,2,3,3,4,4,4-Heptafluorobutyl 2,2,3,4,4,4-hexafluorobutyl carbonate
PC107392	4- (2,2,3,4,4,4-Hexafluorobutoxy) -N- (2,2,2-trifluoroethyl) aniline
PC106859	2,2,3,4,4,4-Hexafluorobutoxybenzene
PC56226	2- (2,2,3,4,4,4-Hexafluorobutoxy) ethanol

Catalog	Name
TRC-B701405-1G	2,4-Butanesultone
419555-01	2,2′,4,4′-Tetrahydroxybenzophenone
290091-01	2,2',4,4'-Tetranitrodiphenylmethane
290090-01	2,2',4,4'-Tetranitrobenzophenone
AR-O01033-01	2,2,4,4-Tetramethyloctane
AR-M03599-01	2,2,4,4-Tetrachlorodibenzylether
FT55663-01	2,2',4,4'-tetrahydroxybenzophenone
T3001	2,2’,4,4’-Tetranitrodiphenylmethane
sc-265948	2,2,4,4-Tetramethylpentane
FT66823-01	2,2',4,4'-Tetramethylbenzophenone