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CAT: 0127-OR1027267-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1027267-01Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

68865-60-1

Synonyms

2- (2-sulfanylethoxy) ethanethiol

Purity

97% average Mw5000

Smiles

C(CS)OCCS

Chemical Information

2,2'-Oxybisethanethiol

CAS Number	68865-60-1
PubChem CID	75073
IUPAC Name	2-(2-sulfanylethoxy)ethanethiol
Molecular Formula	C4H10OS2
Molecular Weight	138.3
XLogP	0.7
Topological Polar Surface Area	11.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	7
Formal Charge	0
Complexity	28

SMILES

C(CS)OCCS

InChI

InChI=1S/C4H10OS2/c6-3-1-5-2-4-7/h6-7H,1-4H2

InChIKey

CNDCQWGRLNGNNO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 68865-60-1

CID: 75073

Formula: C4H10OS2

MW: 138.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	138.3
XLogP3	0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	138.01730729
Monoisotopic Mass	138.01730729
Topological Polar Surface Area	11.2 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	28.9
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