Propane-1,2-cyclic sulfite

CAT: 0127-OR914378-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR914378-01Size:1 g

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CAS Number

1469-73-4

MDL Number

MFCD00041209

Purity

98%, mixture of isomers

Smiles

CC1COS(=O)O1

Chemical Information

Propylene sulfite

CAS Number	1469-73-4
PubChem CID	15117
IUPAC Name	4-methyl-1,3,2-dioxathiolane 2-oxide
Molecular Formula	C3H6O3S
Molecular Weight	122.15
XLogP	0.4
Topological Polar Surface Area	54.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	92

SMILES

CC1COS(=O)O1

InChI

InChI=1S/C3H6O3S/c1-3-2-5-7(4)6-3/h3H,2H2,1H3

InChIKey

SJHAYVFVKRXMKG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1469-73-4

CID: 15117

Formula: C3H6O3S

MW: 122.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	122.15
XLogP3	0.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	122.00376522
Monoisotopic Mass	122.00376522
Topological Polar Surface Area	54.7 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	92.2
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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