1,4-Butane sultone

CAT: 0063-40482562Size: 100 gDry Ice: NoHazardous: No

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CAT#:0063-40482562Size:100 g

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CAS Number

1633-83-6

Chemical Information

1,4-Butane sultone

CAS Number	1633-83-6
PubChem CID	15411
IUPAC Name	oxathiane 2,2-dioxide
Molecular Formula	C4H8O3S
Molecular Weight	136.17
XLogP	0.1
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	153

SMILES

C1CCS(=O)(=O)OC1

InChI

InChI=1S/C4H8O3S/c5-8(6)4-2-1-3-7-8/h1-4H2

InChIKey

MHYFEEDKONKGEB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1633-83-6

CID: 15411

Formula: C4H8O3S

MW: 136.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	136.17
XLogP3	0.1
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	153
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

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