Methylpropyldisulfide

CAT: 0127-OR1029629-02Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1029629-02Size:5 g

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CAS Number

2179-60-4

Synonyms

1- (methyldisulfanyl) propane

Purity

98%

Smiles

CCCSSC

Chemical Information

Methyl propyl disulfide

Methyl propyl disulfide is an organic disulfide.

CAS Number	2179-60-4
PubChem CID	16592
IUPAC Name	1-(methyldisulfanyl)propane
Molecular Formula	C4H10S2
Molecular Weight	122.3
XLogP	1.8
Topological Polar Surface Area	50.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	6
Formal Charge	0
Complexity	21

SMILES

CCCSSC

InChI

InChI=1S/C4H10S2/c1-3-4-6-5-2/h3-4H2,1-2H3

InChIKey

PUCHCUYBORIUSM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2179-60-4

CID: 16592

Formula: C4H10S2

MW: 122.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	122.3
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	122.02239267
Monoisotopic Mass	122.02239267
Topological Polar Surface Area	50.6 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	21.5
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
OR1023696-01	Methylpropyltrisulfide