Trimethylsulfoxonium Iodide

CAT: 1299-RG-T180956-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-T180956-01Size:10 mg

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CAS Number

1774-47-6

Synonyms

Trimethylsulfoxonium iodide

Molecular Formula

C3H9IOS

Molecular Weight

220.07

Target Alternative Name

Fluconazole

Product Name Synonym

Trimethylsulfoxonium iodide

Chemical Information

Sulfoxonium, trimethyl-, iodide (1:1)

CAS Number	1774-47-6
PubChem CID	74498
Molecular Formula	C3H9IOS
Molecular Weight	220.07
Topological Polar Surface Area	18.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	6
Formal Charge	0
Complexity	53

SMILES

C[S+](=O)(C)C.[I-]

InChI

InChI=1S/C3H9OS.HI/c1-5(2,3)4;/h1-3H3;1H/q+1;/p-1

InChIKey

BPLKQGGAXWRFOE-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 1774-47-6

CID: 74498

Formula: C3H9IOS

MW: 220.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	220.07
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	219.94188
Monoisotopic Mass	219.94188
Topological Polar Surface Area	18.1 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	53
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	2
Compound Is Canonicalized	Yes

Catalog	Name
RG-E141241-01	Trimethylsulfonium iodide
RG-T052048-01	Tetrabutylammonium Iodide
RG-I150401-01	Sodium iodide discontinued
RM-A200375-01	Atracurium Iodide (Mixture Of Diastereomers)
RM-G122727-01	Glycopyrronium Iodide-13C-D3
RM-N051501-01	Neostigmine Bromide EP Impurity A Iodide
RM-D171203-01	Dequalinium EP Impurity C Iodide
RM-M201238-01	Montelukast Impurity 12; Iodomethane; Methyl Iodide
RM-A200364-01	Atracurium Besilate EP Impurity D Iodide
RM-A050917-01	7-Acetoxy-1-Methylquinolinium Iodide (Amqi)

Catalog	Name
TRC-T797500-10G	Trimethylsulfoxonium Iodide
022487	Trimethylsulfoxonium-d9 Iodide
242498-01	Trimethylsulfoxonium iodide 98+%
39671-01	Trimethylsulfoxonium Iodide (TMSI) extrapure, 99%
OR1015354-01	Trimethylsulfoxonium Bromide
289790-01	Trimethylsulfoxonium chloride
MA-0228	Iodide
S01YF-0223-KX330	TO Iodide