286013-19-2
C₂H₆OS·79.130 g/mol·CID 71309111
IUPAC: 2-sulfanyl(113C)ethanol
Also known as: DTXSID80745760, 2-Sulfanyl(1-~13~C)ethan-1-ol, RefChem:267035, DTXCID60696504, 2-Mercaptoethanol-1-13C, 99 atom % 13C, 98% (CP)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
79.130g/mol
Exact Mass
79.017291Da
Monoisotopic Mass
79.017291Da
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)
✓ 79.1 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
H302Harmful if swallowedH311Toxic in contact with skinH314Causes severe skin burns and eye damage
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
1,1,2,2-tetradeuterio-2-sulfanylethanol
CID 53759477 · 82.2 g/mol
2-sulfanyl(1,2-13C2)ethanol
CID 71308868 · 80.1 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