Benzenemethanethiol, 3,5-bis(phenylmethoxy)-
C₂₁H₂₀O₂S·336.400 g/mol·CID 11688615
IUPAC: [3,5-bis(phenylmethoxy)phenyl]methanethiol
Also known as: 260964-92-9, DTXSID40470667, RefChem:324879, DTXCID10421484, [3,5-BIS(BENZYLOXY)PHENYL]METHANETHIOL (+2 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
336.400g/mol
Exact Mass
336.118401Da
Monoisotopic Mass
336.118401Da
XLogP
4.9
Polar Surface Area
19.5Ų
Complexity
307
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
3
Rotatable Bonds
7
Heavy Atoms
24
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 336.4 g/mol
MW ≤ 500
✓ 4.9
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 3
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C21H20O2S/c24-16-19-11-20(22-14-17-7-3-1-4-8-17)13-21(12-19)23-15-18-9-5-2-6-10-18/h1-13,24H,14-16H2
Isomers8 compounds with formula C₂₁H₂₀O₂S
1,2-dimethoxy-4-[phenyl(phenylsulfanyl)methyl]benzene
CID 3697241 · 336.4 g/mol
2-benzylsulfinyl-1,1-diphenylethanol
CID 2765160 · 336.4 g/mol
1-(2-benzylsulfanylethoxy)-4-phenoxybenzene
CID 11002213 · 336.4 g/mol
4-methoxy-1-methyl-2-[2-(4-methylphenyl)sulfinylphenyl]benzene
CID 138683229 · 336.4 g/mol
4-methoxy-1-methyl-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]benzene
CID 138683230 · 336.4 g/mol
propanoate;triphenylsulfanium
CID 22995017 · 336.4 g/mol
1,3,5-trimethyl-2-(4-phenylphenyl)sulfonylbenzene
CID 593018 · 336.4 g/mol
7-(benzenesulfonyl)nona-7,8-dien-1-ynylbenzene
CID 12046701 · 336.4 g/mol