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2,2'-Thiodiethanol 99%

CAT: 0286-T10775Size: 100 gDry Ice: NoHazardous: No
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CAT#:0286-T10775Size:100 g
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CAS Number
111-48-8
Synonyms
2,2'-Thiobis (ethanol) ; bis (2-Hydroxyethyl) sulfide; Thiodiethylene glycol; Thiodiglycol
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00002910
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

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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