284474-53-9
C₂H₆OS·82.160 g/mol·CID 53759477
IUPAC: 1,1,2,2-tetradeuterio-2-sulfanylethanol
Also known as: DTXSID10706460, 2-Sulfanyl(~2~H_4_)ethan-1-ol, RefChem:267037, DTXCID30657208, 2-Mercaptoethanol-1,1,2,2-d4 (+4 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
82.160g/mol
Exact Mass
82.039043Da
Monoisotopic Mass
82.039043Da
XLogP
-0.2
Polar Surface Area
21.2Ų
Complexity
10
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
2
Rotatable Bonds
1
Heavy Atoms
4
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 82.2 g/mol
MW ≤ 500
✓ -0.2
LogP ≤ 5
✓ 2
H-bond donors ≤ 5
✓ 2
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Danger
Hazards
H301Toxic if swallowedH310Fatal in contact with skinH315Causes skin irritationH317May cause an allergic skin reactionH318Causes serious eye damageH330Fatal if inhaledH400Very toxic to aquatic lifeH410Very toxic to aquatic life with long lasting effects
Source: PubChem GHS Classification. Always consult the SDS for handling.
Isomers8 compounds with formula C₂H₆OS
methylsulfinylmethane
CID 679 · 78.1 g/mol
2-sulfanylethanol
CID 1567 · 78.1 g/mol
trideuterio(trideuteriomethylsulfinyl)methane
CID 75151 · 84.2 g/mol
hydroxysulfanylethane
CID 13710589 · 78.1 g/mol
2-sulfanyl(1,2-13C2)ethanol
CID 71308868 · 80.1 g/mol
2-sulfanyl(113C)ethanol
CID 71309111 · 79.1 g/mol
1,1,2,2-tetradeuterio-1-deuteriooxy-2-deuteriosulfanylethane
CID 71310253 · 84.2 g/mol
(1S)-1-sulfanylethanol
CID 94845813 · 78.1 g/mol