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2,2’-Thiodiethanol

CAT: 0572-TRC-T344575-50GSize: 50 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-T344575-50GSize:50 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
111-48-8
Synonyms
Ethanol, 2,2'-thiobis-; Ethanol, 2,2'-thiodi- (6CI,8CI); 2,2'-Thiobis[ethanol]; 1,5-Dihydroxy-3-thiapentane; 2,2'-Dihydroxydiethyl sulfide; 2,2'-Thiodiethanol; 2,2'-Thiodiglycol; 2-(2-Hydroxyethylthio)ethanol; 3-Thiapentane-1,5-diol; Bis(2-hydroxyethyl) sulfide; Bis(2-hydroxyethyl) thioether; Bis(beta-hydroxyethyl) sulfide; Di(2-hydroxyethyl) sulfide; Di(2-hydroxyethyl) thioether; Diethanol sulfide; Kromfax Solvent; NSC 6289; Tedegyl; Thiodiethylene glycol; Thiodiglycol; Thiodiglycol HP; beta,beta'-Dihydroxydiethyl sulfide; beta,beta'-Dihydroxyethyl sulfide; beta-Thiodiglycol;Thiodiglycol (unlabelled);
Hazard Statement
Causes serious eye irritation.
Smiles
OCCSCCO
Molecular Formula
C4 H10 O2 S
Molecular Weight
122.19
InChI
InChI=1S/C4H10O2S/c5-1-3-7-4-2-6/h5-6H,1-4H2
Additionnal Information
IUPAC name: 2-(2-hydroxyethylsulfanyl)ethanol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Thiodiglycol

Thiodiglycol is a diol that is pentane-1,5-diol in which the methylene group at position 3 is replaced by a sulfur atom. It has a role as an antioxidant, a metabolite, an antineoplastic agent and a solvent. It is an aliphatic sulfide and a diol. It is functionally related to a mercaptoethanol.

CAS Number111-48-8
PubChem CID5447
IUPAC Name2-(2-hydroxyethylsulfanyl)ethanol
Molecular FormulaC4H10O2S
Molecular Weight122.19
XLogP-0.6
Topological Polar Surface Area65.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count7
Formal Charge0
Complexity28
SMILES
C(CSCCO)O
InChI
InChI=1S/C4H10O2S/c5-1-3-7-4-2-6/h5-6H,1-4H2
InChIKey
YODZTKMDCQEPHD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thiodiglycol
CAS: 111-48-8
CID: 5447
Formula: C4H10O2S
MW: 122.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight122.19
XLogP3-0.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass122.04015073
Monoisotopic Mass122.04015073
Topological Polar Surface Area65.8 Ų
Heavy Atom Count7
Formal Charge0
Complexity28.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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