3,6-Dioxa-1,8-octane-dithiol

CAT: 0127-BI7569-01Size: 100 gDry Ice: NoHazardous: No

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CAT#:0127-BI7569-01Size:100 g

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CAS Number

14970-87-7

Synonyms

DODT

MDL Number

MFCD00015873

Purity

97%

Smiles

SCCOCCOCCS

Chemical Information

Triethylene glycol dimercaptan

CAS Number	14970-87-7
PubChem CID	84733
IUPAC Name	2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol
Molecular Formula	C6H14O2S2
Molecular Weight	182.3
XLogP	0.5
Topological Polar Surface Area	20.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	10
Formal Charge	0
Complexity	53

SMILES

C(COCCS)OCCS

InChI

InChI=1S/C6H14O2S2/c9-5-3-7-1-2-8-4-6-10/h9-10H,1-6H2

InChIKey

HCZMHWVFVZAHCR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14970-87-7

CID: 84733

Formula: C6H14O2S2

MW: 182.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	182.3
XLogP3	0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	182.04352203
Monoisotopic Mass	182.04352203
Topological Polar Surface Area	20.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	53.7
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
OR312364	8-Benzyl-6- (phenoxymethyl) -2,5-dioxa-8-azaspiro[3.4]octane
OR4854-01	3,6-Dithia-1,8-octane-1,8-diol
OR312357	8-Benzyl-2,5-dioxa-8-azaspiro[3.4]octane
OR312356	8-Phenyl-2,5-dioxa-8-azaspiro[3.4]octane
OR312355	8-Ethyl-2,5-dioxa-8-azaspiro[3.4]octane
OR312359	8- (3-Nitrobenzyl) -2,5-dioxa-8-azaspiro[3.4]octane
OR93220-01	5,8-Dioxa-2-azaspiro[3.4]octane hydrochloride
OR312358	8- (4-Bromobenzyl) -2,5-dioxa-8-azaspiro[3.4]octane
OR312354	7-Phenyl-2,5-dioxa-8-azaspiro[3.4]octane
OR312351	7-Isopropyl-2,5-dioxa-8-azaspiro[3.4]octane

Catalog	Name
sc-213549	1,8-Bis (cystineyl) -3,6-dioxa-octane Dihydrochloride
105	3,6-DIOXA-1,8-OCTANEDITHIOL
272796-01	3,6-Dioxa-8-mercaptooctan-1-ol
MBS6044497-01	1,6-Anhydro-D-galactose (6,8-Dioxa-bicyclo[3.2.1]octane-2,3,4-triol)
4065553.0050	N-Biotinyl-3,6-dioxa-1,8-octanediamine
262064-01	Boc-1-amino-3,6-dioxa-8-octanediamine
ANB68355-01	1- (Boc-amino) -3,6-dioxa-8-octaneazide
KCA82212-01	4,6-Dichlorobenzene-1,3-dithiol
235812-01	Boc-1-amino-3,6-dioxa-8-octanediamine ≥97% (
277551-01	Fmoc-1-amino-3,6-dioxa-8-octanamine hydrochloride