SCHEMBL45371
C₂H₆OS·78.140 g/mol·CID 94845813
IUPAC: (1S)-1-sulfanylethanol
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
78.140g/mol
Exact Mass
78.013936Da
Monoisotopic Mass
78.013936Da
XLogP
0.4
Polar Surface Area
21.2Ų
Complexity
15
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
2
Rotatable Bonds
0
Heavy Atoms
4
Stereo Centers
1
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 78.1 g/mol
MW ≤ 500
✓ 0.4
LogP ≤ 5
✓ 2
H-bond donors ≤ 5
✓ 2
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
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
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