Dipropyl sulfide

CAT: 0024-sc-227928Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-227928Size:25 g

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CAS Number

111-47-7

Chemical Information

Propyl sulfide

Dipropyl sulfide is an aliphatic sulfide.

CAS Number	111-47-7
PubChem CID	8118
IUPAC Name	1-propylsulfanylpropane
Molecular Formula	C6H14S
Molecular Weight	118.24
XLogP	2.7
Topological Polar Surface Area	25.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	7
Formal Charge	0
Complexity	23

SMILES

CCCSCCC

InChI

InChI=1S/C6H14S/c1-3-5-7-6-4-2/h3-6H2,1-2H3

InChIKey

ZERULLAPCVRMCO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 111-47-7

CID: 8118

Formula: C6H14S

MW: 118.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	118.24
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	118.08162162
Monoisotopic Mass	118.08162162
Topological Polar Surface Area	25.3 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	23.4
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-486626	Dipropyl Sulfone
sc-234795	Dipropyl sulfate
sc-223951	Dipropyl ether
sc-487234	Dipropyl Malonate
sc-234793	Dipropyl carbonate
sc-223951A	Dipropyl ether
sc-476113	Dipropyl Tetrachlorophthalate
sc-495851	Dipropyl trisulfide
sc-204730A	Dipropyl disulfide
sc-204730	Dipropyl disulfide