Decyl Methanethiosulfonate

CAT: 0024-sc-211218Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-211218Size:100 mg

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CAS Number

190852-38-1

Chemical Information

Decyl Methanethiosulfonate

CAS Number	190852-38-1
PubChem CID	5225635
IUPAC Name	1-methylsulfonylsulfanyldecane
Molecular Formula	C11H24O2S2
Molecular Weight	252.4
XLogP	4.5
Topological Polar Surface Area	67.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	10
Heavy Atom Count	15
Formal Charge	0
Complexity	217

SMILES

CCCCCCCCCCSS(=O)(=O)C

InChI

InChI=1S/C11H24O2S2/c1-3-4-5-6-7-8-9-10-11-14-15(2,12)13/h3-11H2,1-2H3

InChIKey

DOBVPKYSENAWGJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 190852-38-1

CID: 5225635

Formula: C11H24O2S2

MW: 252.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	252.4
XLogP3	4.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	10
Exact Mass	252.12177235
Monoisotopic Mass	252.12177235
Topological Polar Surface Area	67.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	217
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

Catalog	Name
sc-234520	Decyl chloroformate
sc-484950	Decyl Decanoate
sc-227745	Decyl isocyanate
sc-214592	Benzyl Methanethiosulfonate
sc-217946	Colchicine Methanethiosulfonate
sc-211020	Carboxymethyl Methanethiosulfonate
sc-211882A	Methyl Methanethiosulfonate
sc-211372	Dodecyl Methanethiosulfonate
sc-208395	Sodium Methanethiosulfonate
sc-212590	Propargyl Methanethiosulfonate

Catalog	Name
D1879-10	Decyl Methanethiosulfonate
40400020-2	Decyl Glucopyranoside
TN11201-01	Decyl acetate
293188-01	Decyl Glucoside
1120-24-7	Decyl dimethylamine
MBS3611336-01	Decyl aldehyde
OR1026967-01	Decyl Ether
OR8837	Decyl chloride
OR1012780-01	Decyl Alcohol
GTR19274006-01	Decyl phosphate