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Thiodiglycol

CAT: 1596-AR-G02656-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-G02656-01Size:10 Units
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CAS Number
111-48-8
Molecular Formula
C4H10O2S
Molecular Weight
122.18
API Name
Glycine

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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