2-ethylsulfanyl-1,2-diphenylethanol

C16H18OS — CID 11242365

IUPAC2-ethylsulfanyl-1,2-diphenylethanol
SMILESCCSC(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C16H18OS/c1-2-18-16(14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13/h3-12,15-17H,2H2,1H3
InChIKeySWRINZUBYGYMLZ-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.21
Rot. Bonds5

About 2-ethylsulfanyl-1,2-diphenylethanol

2-ethylsulfanyl-1,2-diphenylethanol (PubChem CID 11242365) has the molecular formula C16H18OS and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-ethylsulfanyl-1,2-diphenylethanol.

Molecular Properties

Compound Name2-ethylsulfanyl-1,2-diphenylethanol
PubChem CID11242365
Molecular FormulaC16H18OS
Molecular Weight258.39 g/mol
Exact Mass258.11
IUPAC Name2-ethylsulfanyl-1,2-diphenylethanol
SMILESCCSC(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C16H18OS/c1-2-18-16(14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13/h3-12,15-17H,2H2,1H3
InChIKeySWRINZUBYGYMLZ-UHFFFAOYSA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[ethylsulfanyl(phenyl)methyl]propanedinitrile
CID 12663218
3-ethylsulfanyl-2-(methylamino)-3-phenylpropanoic acid
CID 153389510
sulfanyl 2-amino-3-ethylsulfanyl-3-phenylpropanoate
CID 153389530
(4R,5S)-5-ethylsulfanyl-4,5-diphenylpent-1-en-3-one
CID 162807530
1,2-diphenylethane-1,2-diol
CID 159073808
ethane;1-ethylsulfanylethylbenzene
CID 91185856
(1-ethylsulfanyl-3-methylbut-3-enyl)benzene
CID 142058363
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
S-ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanethioate
CID 11096246
1-phenyl-2-propylpentan-1-ol
CID 82987900
(1S,2S)-2-amino-1-phenylbutan-1-ol
CID 36689126
(1S,2S)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethanol
CID 101428948

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1,2-diphenylethanol?
The IUPAC name of 2-ethylsulfanyl-1,2-diphenylethanol (CID 11242365) is 2-ethylsulfanyl-1,2-diphenylethanol.
What is the SMILES notation for 2-ethylsulfanyl-1,2-diphenylethanol?
The canonical SMILES for 2-ethylsulfanyl-1,2-diphenylethanol is CCSC(c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of 2-ethylsulfanyl-1,2-diphenylethanol?
The InChIKey is SWRINZUBYGYMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OS/c1-2-18-16(14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13/h3-12,15-17H,2H2,1H3.
What are the key properties of 2-ethylsulfanyl-1,2-diphenylethanol?
2-ethylsulfanyl-1,2-diphenylethanol has a molecular weight of 258.39 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1,2-diphenylethanol is sourced from PubChem (CID 11242365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).