Results for:
PubChem ID: 5447

2-(2-hydroxyethylsulfanyl)ethanol

Mass-Spectra

Compound Details

Synonymous names
Thiodiglycolum
Dihydroxyethyl sulfide
Thiodiethanol
Thiodiethylene glycol
thiodiglycol
Tiodiglicolo
Tiodiglicol
beta-Thiodiglycol
beta,beta'-Dihydroxydiethyl sulfide
Diethanol sulfide
omega,omega'-Dihydroxyethyl sulfide
YODZTKMDCQEPHD-UHFFFAOYSA-N
beta-hydroxyethyl sulfid
beta-Hydroxyethyl sulfide
beta,beta inverted exclamation mark -dihydroxydiethylsulfide
beta,beta'-Dihydroxyethyl sulfide
bis(hydroxyethyl)sulfide
Kromfax Solvenl
Kromfax solvent
Kromfax@ Solvent
Tedegyl
b,b'-Dihydroxydiethyl sulfide
Bis(beta-hydroxyethyl)sulfide
b,b'-Dihydroxyethyl sulfide
bis(|A-hydroxyethyl)sulfidl
Glyecine A
Glyecine l
2-Hydroxyethyl Sulfide
2-hydroxyethyl sulfidl
AC1L1KDE
AC1Q7DBQ
2,2'-sulfanediyldiethanol
beta-Bis(hydroxyethyl) sulfide
Bis(2-hydroxyethyl)sulfide
Bis(beta-hydroxyethyl) sulfide
.beta.-Thiodiglycol
Tiodiglicolo [DCIT]
.beta.-Hydroxyethyl sulfide
2,2'-THIOBISETHANOL
2,2'-Thiodiethanol
Bis(b-hydroxyethyl) sulfide
Thiodiglycol [INN]
Thiodiglycolum [INN-Latin]
2,2-Thiodiethanol
2,2'-Thiodiglycol
Bis(2-hydroxyethyl) thioether
C4H10O2S
Tiodiglicol [INN-Spanish]
2-(2-hydroxyethylsulfanyl)ethanol
Bis(2-hydroxyethyl) sulfide
Bis(2-hydroxyethyl) sulphide
Ethanol,2'-thiobis-
Ethanol,2'-thiodi-
NSC6289
SCHEMBL40132
CTK0H5226
Di(2-hydroxyethyl) sulfide
X3615
2-(2-hydroxyethylthio)ethanol
CHEMBL444480
NE10240
WLN: Q2S2Q
9BW5T43J04
HMS1922I18
HSDB 7482
SPECTRUM1503325
.beta.-Bis(hydroxyethyl) sulfide
bis-(2-hydroxyethyl) sulphide
Bis(.beta.-hydroxyethyl) sulfide
DTXSID6026878
HY-B0913
Jsp000864
LP063687
NSC 6289
NSC-6289
NSC758456
OR010955
SBB060117
SCHEMBL6679983
STL302034
Sulfide, bis(2-hydroxyethyl)
.beta.,.beta.'-Dihydroxydiethyl sulfide
1,5-dihydroxy-3-thiapentane
A802371
CHEBI:75184
DSSTox_CID_6878
Spectrum_001701
UNII-9BW5T43J04
ZINC1693386
.beta.,.beta.'-Dihydroxyethyl sulfide
2,2'-Thiobis(ethanol)
2,2'-Thiobis[ethanol]
AJ-30195
AK-49254
AN-22663
CCG-39716
CJ-28318
DSSTox_GSID_26878
KBioGR_000845
KBioSS_002181
LS-67064
2,2 inverted exclamation mark -thiobis-ethano
DSSTox_RID_78233
SPBio_000334
Spectrum2_000407
Spectrum4_000213
ZINC01693386
2-(2-hydroxy-ethylsulfanyl)-ethanol
2,2 inverted exclamation mark -thiodi-ethano
3-Thiapentane-1,5-diol
AI3-05541
DB-060096
NSC-758456
ST51046354
TR-002273
2,2'-Thiodiethanol, >=99%
AKOS009031578
J-002590
KBio2_002181
KBio2_004749
KBio2_007317
S09-0119
2-[(2-hydroxyethyl)thio]ethanol
BRN 1236325
Ethanol, 2,2'-thiobis-
Ethanol, 2,2'-thiodi-
2-(2-hydroxyethylthio)ethan-1-ol
EN300-20661
Tox21_111413
Tox21_200827
111-48-8
F0001-0242
2,2 -Thio-bis[ethanol]
MCULE-5502656030
NCGC00095074-01
NCGC00095074-02
NCGC00095074-03
NCGC00095074-05
NCGC00258381-01
AB00052435_02
CAS-111-48-8
EINECS 203-874-3
Pharmakon1600-01503325
2-[(2-hydroxyethyl)sulfanyl]ethan-1-ol
SR-01000872773
Tox21_111413_1
SBI-0051909.P002
SR-01000872773-1
2,2'-Thiodiethanol, >=99.0%, suitable for amino acid analysis
2,2'-Thiodiethanol, >=99.0% (GC)
2,2'-Thiodiethanol, purum, >=95.0% (GC)
2,2'-Thiodiethanol, puriss., >=98.5% (GC)
InChI=1/C4H10O2S/c5-1-3-7-4-2-6/h5-6H,1-4H
Microorganism:

Yes

IUPAC name2-(2-hydroxyethylsulfanyl)ethanol
SMILESC(CSCCO)O
InchiInChI=1S/C4H10O2S/c5-1-3-7-4-2-6/h5-6H,1-4H2
FormulaC4H10O2S
PubChem ID5447
Molweight122.18
LogP-0.68
Atoms17
Bonds16
H-bond Acceptor2
H-bond Donor2
Chemical Classificationalcohols thioethers sulfur compounds sulfides

mVOC Specific Details

Boiling Point
DegreeReference
282 deg CLide, D.R. CRC Handbook of Chemistry and Physics 86TH Edition 2005-2006. CRC Press, Taylor & Francis, Boca Raton, FL 2005, p. 3-52
Volatilization
The Henry's Law constant for thiodiglycol is estimated as 1.9X10-9 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that thiodiglycol is expected to be essentially nonvolatile from water surfaces(2) and moist soil surfaces(SRC). Thiodiglycol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.00323 mm Hg(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989)
Soil Adsorption
The Koc of thiodiglycol is estimated as 11(SRC), using a log Kow of -0.63(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that thiodigylcol is expected to have very high mobility in soil. The sorption of thiodiglycol was determined in 6 soils that were characteristic of US military installations(4). After 24 hours of equilibration, 99-100% of the original mass of thiodiglycol remained in the aqueous phase for 5 of the 6 soils(4).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 10 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Lee KP, Allen HE; Environ Toxicol Chem 17: 1720-6 (1998)
Vapor Pressure
PressureReference
0.00323 at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTuber Magnatumn/aItalian geographical areas ( Piedmont, Marche, Border region area between Emilia Romagna and Marche, Molise)Gioacchini et al., 2008
FungiTuber Magnatumn/aItalian geographical areas ( Marche, Emilia Romagna, Border region area between Emilia Romagna and Marche)Gioacchini et al., 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)