Isopropyl sulfide

CAT: 0024-sc-235422Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-235422Size:25 g

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CAS Number

625-80-9

Chemical Information

Diisopropyl sulfide

Diisopropyl sulfide is an aliphatic sulfide.

CAS Number	625-80-9
PubChem CID	12264
IUPAC Name	2-propan-2-ylsulfanylpropane
Molecular Formula	C6H14S
Molecular Weight	118.24
XLogP	2.8
Topological Polar Surface Area	25.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	7
Formal Charge	0
Complexity	33

SMILES

CC(C)SC(C)C

InChI

InChI=1S/C6H14S/c1-5(2)7-6(3)4/h5-6H,1-4H3

InChIKey

XYWDPYKBIRQXQS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 625-80-9

CID: 12264

Formula: C6H14S

MW: 118.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	118.24
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	118.08162162
Monoisotopic Mass	118.08162162
Topological Polar Surface Area	25.3 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	33.4
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