Results for:
PubChem ID: 1567

2-sulfanylethanol

Mass-Spectra

Compound Details

Synonymous names
2-mercaptoethanol
Mercaptoethanol
60-24-2
Beta-Mercaptoethanol
Thioglycol
2-Sulfanylethanol
Ethanol, 2-mercapto-
2-Thioethanol
Thioethylene glycol
2-Hydroxyethanethiol
2-Hydroxyethyl mercaptan
Monothioglycol
Thiomonoglycol
2-Hydroxy-1-ethanethiol
1-Ethanol-2-thiol
Hydroxyethyl mercaptan
Monothioethylene glycol
2-Mercapto-1-ethanol
1-Hydroxy-2-mercaptoethane
2-Mercaptoethyl alcohol
2-ME
Ethylene glycol, monothio-
1-Mercapto-2-hydroxyethane
beta-Hydroxyethanethiol
2-sulfanylethan-1-ol
2-Hydroxyethylmercaptan
Emery 5791
USAF EK-4196
.beta.-Hydroxyethanethiol
.beta.-Mercaptoethanol
NSC 3723
.beta.-Hydroxyethylmercaptan
14R9K67URN
DTXSID4026343
CHEBI:41218
NSC-3723
155613-89-1
Mercaptoetanol
BME
Monothioethyleneglycol
2-Mercaptoethanol, >=99.0%
beta-Hydroxyethylmercaptan
|A-mercaptoethanol
2-mercapto ethanol
Cuprate(6-), .mu.-2,2-(1-methyl-1,2-ethanediyl)bisimino(6-fluoro-1,3,5-triazine-4,2-diyl)imino(2-hyd
CCRIS 2097
HSDB 5199
EINECS 200-464-6
UN2966
BRN 0773648
UNII-14R9K67URN
2mercaptoethanol
AI3-07710
b-mercaptoethanol
2-mercapto-ethanol
2-sulfanyl-ethanol
beta-sulfanylethanol
hydroxyethyl sulfide
mercaptoethyl alcohol
MFCD00004890
beta -mercaptoethanol
2-Sulfanylethanol #
2-hydroxy-ethanethiol
2-mercaptoethan-1-ol
HSCH2CH2OH
?-MERCAPTOETHANOL
WLN: SH2Q
EC 200-464-6
4-01-00-02428 (Beilstein Handbook Reference)
DivK1c_000784
BDBM7971
CHEMBL254951
2-MERCAPTOETHANOL [MI]
FEMA NO. 4582
HMS502H06
KBio1_000784
NSC3723
NINDS_000784
Thioglycol [UN2966] [Poison]
STL482546
2-Mercaptoethanol, for electrophoresis
AKOS000118900
CCG-231050
DB03345
MCULE-2252943288
UN 2966
IDI1_000784
BP-21398
2-Mercaptoethanol, for synthesis, 99.0%
DS-014379
M0058
M1948
NS00005734
EN300-19346
C00928
2-Mercaptoethanol, SAJ special grade, >=99.0%
A832651
Q411084
InChI=1/C2H6OS/c3-1-2-4/h3-4H,1-2H
Q-200296
3-Pyridinecarbonitrile, 4-methyl-2,6-di-5-morpholinyl-
F0001-1577
Z104473584
2-Mercaptoethanol, for HPLC derivatization, >=99.0% (GC)
2-Mercaptoethanol, BioUltra, for molecular biology, >=99.0% (GC)
2-Mercaptoethanol, for molecular biology, for electrophoresis, suitable for cell culture, BioReagent, 99% (GC/titration)
Cuprate(6-), [.mu.-[[2,2'-[(1-methyl-1,2-ethanediyl)bis[imino(6-fluoro-1,3,5-triazine-4,2-diyl)imino[2-(hydroxy-.kappa.O)-5-sulfo-3,1-phenylene](2,1-diazenediyl
Microorganism:

Yes

IUPAC name2-sulfanylethanol
SMILESC(CS)O
InchiInChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2
FormulaC2H6OS
PubChem ID1567
Molweight78.14
LogP-0.2
Atoms4
Bonds1
H-bond Acceptor2
H-bond Donor2
Chemical Classificationalcohols sulfur compounds thiols
CHEBI-ID41218
Supernatural-IDSN0065398

mVOC Specific Details

Boiling Point
DegreeReference
157 °C peer reviewed
Volatilization
The Henry's Law constant for 2-mercaptoehtanol is estimated as 1.8X10-7 atm-cu m/mole(SRC) derived from its vapor pressure, 1.76 mm Hg(1), and an assigned value for water solubility of 1.00X10+6 mg/L (miscible)(2). This Henry's Law constant indicates that 2-mercaptoethanol is expected to be essentially nonvolatile from water surfaces(3). 2-Mercaptoethanol's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may not occur(SRC). 2-Mercaptoethanol is expected to volatilize from dry soil surfaces(SRC) based upon its extrapolated vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989) (2) O'Neil MJ, ed; The Merck Index. 13th ed Whitehouse Station, NJ: Merck and Co., Inc., p. 1050 (2001) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of 2-mercaptoethanol can be estimated to be 1.3(SRC). According to a classification scheme(2), this estimated Koc value suggests that 2-mercaptoethanol is expected to have very high mobility in soil.
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-67 (1992) (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)
Vapor Pressure
PressureReference
1.756 mm Hg at 25 deg C /Extrapolated/Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStreptomyces Philanthiantifungal activity against Aspergillus parasiticus TISTR 3276 and Aspergillus flavus PSRDC-4NABoukaew and Prasertsan 2020
EukaryotaTuber Magnatumn/aItalian geographical areas (Piedmont, Molise)Gioacchini et al. 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStreptomyces Philanthisterile wheat seedsGC-MSyes
EukaryotaTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no