Tetramethylene sulfoxide

CAT: 0127-OR916306-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR916306-01Size:1 g

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CAS Number

1600-44-8

MDL Number

MFCD00005477

Purity

99%

Smiles

O=S1CCCC1

Chemical Information

Tetramethylene sulfoxide

Tetrahydrothiophene 1-oxide is a member of tetrahydrothiophenes.

CAS Number	1600-44-8
PubChem CID	1128
IUPAC Name	thiolane 1-oxide
Molecular Formula	C4H8OS
Molecular Weight	104.17
XLogP	-0.3
Topological Polar Surface Area	36.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	6
Formal Charge	0
Complexity	61

SMILES

C1CCS(=O)C1

InChI

InChI=1S/C4H8OS/c5-6-3-1-2-4-6/h1-4H2

InChIKey

ISXOBTBCNRIIQO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1600-44-8

CID: 1128

Formula: C4H8OS

MW: 104.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	104.17
XLogP3	-0.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	104.02958605
Monoisotopic Mass	104.02958605
Topological Polar Surface Area	36.3 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	61.9
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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