Methyl N-Octyl Sulphide

CAT: 0127-OR1024520-01Size: 1 mLDry Ice: NoHazardous: No

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CAT#:0127-OR1024520-01Size:1 mL

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CAS Number

3698-95-1

Synonyms

1-methylsulfanyloctane

Purity

98%

Smiles

CCCCCCCCSC

Chemical Information

Methyl octyl sulfide

CAS Number	3698-95-1
PubChem CID	77289
IUPAC Name	1-methylsulfanyloctane
Molecular Formula	C9H20S
Molecular Weight	160.32
XLogP	4.8
Topological Polar Surface Area	25.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	7
Heavy Atom Count	10
Formal Charge	0
Complexity	52

SMILES

CCCCCCCCSC

InChI

InChI=1S/C9H20S/c1-3-4-5-6-7-8-9-10-2/h3-9H2,1-2H3

InChIKey

AHCJTMBRROLNHV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3698-95-1

CID: 77289

Formula: C9H20S

MW: 160.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	160.32
XLogP3	4.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	7
Exact Mass	160.12857181
Monoisotopic Mass	160.12857181
Topological Polar Surface Area	25.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	52.7
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
OR451317-01	Furfuryl methyl sulphide
OR39998	Chloromethyl methyl sulphide
OR1012965-01	Di-n-Octyl Sulfide
OR1012842-01	Dichloro (Methyl) (Octyl) Silane
OR72054-01	N-Octyl acrylate
OR1025209-01	N-Octyl Chloroformate
OR1030654-01	N-Octyl Acrylate
OR111349-01	Methyl 1-octyl-2-oxocyclohexanecarboxylate
OR906544-01	Di-n-octyl sebacate
OR1029604-01	Di-n-Octyl Sebacate

Catalog	Name
sc-487843	Methyl n-Octyl Sulfide
FE35667-01	Ethyl methyl sulphide
M23950	Methyl N-Octyl Sulfide 97%
FM63391	Methyl 1-propenyl sulphide
AR-P31498-01	Methyl Octyl Phthalate
CS-O-07988	Pantoprazole Sulphide N-Oxide
DO08606-01	Octyl D-glucuronide methyl ester
sc-478407	2-Octyl-tetradecanoic Acid Methyl Ester
418997	2-Octyl-tetradecanoic Acid Methyl-d3 Ester
T30744-01	Carbonic acid, (3-iodophenyl) methyl octyl ester