Tetramethylene Sulfate

CAT: 1299-RG-P022794-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-P022794-01Size:10 mg

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CAS Number

5732-44-5

Synonyms

1,3,2-dioxathiepane 2,2-dioxide

Molecular Formula

C4H8O4S

Molecular Weight

152.16

Chemical Information

1,3,2-Dioxathiepane 2,2-dioxide

CAS Number	5732-44-5
PubChem CID	352493
IUPAC Name	1,3,2-dioxathiepane 2,2-dioxide
Molecular Formula	C4H8O4S
Molecular Weight	152.17
XLogP	0.2
Topological Polar Surface Area	61
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	151

SMILES

C1CCOS(=O)(=O)OC1

InChI

InChI=1S/C4H8O4S/c5-9(6)7-3-1-2-4-8-9/h1-4H2

InChIKey

MGAFPXGQLWFEPK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5732-44-5

CID: 352493

Formula: C4H8O4S

MW: 152.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	152.17
XLogP3	0.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	152.01432991
Monoisotopic Mass	152.01432991
Topological Polar Surface Area	61 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	151
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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