(2S)-2-phenyl-1-phenylsulfanylpropan-2-ol

C15H16OS — CID 138965294

IUPAC(2S)-2-phenyl-1-phenylsulfanylpropan-2-ol
SMILESC[C@@](O)(CSc1ccccc1)c1ccccc1
InChIInChI=1S/C15H16OS/c1-15(16,13-8-4-2-5-9-13)12-17-14-10-6-3-7-11-14/h2-11,16H,12H2,1H3/t15-/m1/s1
InChIKeyXJJFFRMKKIWSLN-OAHLLOKOSA-N
MW244.36 g/mol
LogP3.69
Rot. Bonds4

About (2S)-2-phenyl-1-phenylsulfanylpropan-2-ol

(2S)-2-phenyl-1-phenylsulfanylpropan-2-ol (PubChem CID 138965294) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is (2S)-2-phenyl-1-phenylsulfanylpropan-2-ol.

Molecular Properties

Compound Name(2S)-2-phenyl-1-phenylsulfanylpropan-2-ol
PubChem CID138965294
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name(2S)-2-phenyl-1-phenylsulfanylpropan-2-ol
SMILESC[C@@](O)(CSc1ccccc1)c1ccccc1
InChIInChI=1S/C15H16OS/c1-15(16,13-8-4-2-5-9-13)12-17-14-10-6-3-7-11-14/h2-11,16H,12H2,1H3/t15-/m1/s1
InChIKeyXJJFFRMKKIWSLN-OAHLLOKOSA-N
XLogP3.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)sulfanyl-2-phenylpropan-2-ol
CID 55068428
1-(3-aminophenyl)sulfanyl-2-phenylpropan-2-ol
CID 79134142
1-(4-nitrophenyl)sulfanyl-2-phenylpropan-2-ol
CID 62373997
3-(phenylsulfanylmethyl)pentan-3-ol
CID 115919348
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078
2-chloro-2-methyl-3-phenylsulfanylpropanoic acid
CID 13403526
ethane;3-methyl-4-phenylsulfanyl-3-(phenylsulfanylmethyl)butan-1-ol
CID 143258687
1-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenylpropan-2-ol
CID 62375341
2-(4-methoxyphenyl)sulfanyl-1,1-diphenylethanol
CID 2767182
2-methyl-3-(phenylsulfanylmethyl)octane-2,3-diol
CID 11076913
1-(3-hydroxypropylsulfanyl)-2-phenylpropan-2-ol
CID 66128083
2,2-dimethyl-3-phenylsulfanylpropanal
CID 15645098

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-1-phenylsulfanylpropan-2-ol?
The IUPAC name of (2S)-2-phenyl-1-phenylsulfanylpropan-2-ol (CID 138965294) is (2S)-2-phenyl-1-phenylsulfanylpropan-2-ol.
What is the SMILES notation for (2S)-2-phenyl-1-phenylsulfanylpropan-2-ol?
The canonical SMILES for (2S)-2-phenyl-1-phenylsulfanylpropan-2-ol is C[C@@](O)(CSc1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-1-phenylsulfanylpropan-2-ol?
The InChIKey is XJJFFRMKKIWSLN-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H16OS/c1-15(16,13-8-4-2-5-9-13)12-17-14-10-6-3-7-11-14/h2-11,16H,12H2,1H3/t15-/m1/s1.
What are the key properties of (2S)-2-phenyl-1-phenylsulfanylpropan-2-ol?
(2S)-2-phenyl-1-phenylsulfanylpropan-2-ol has a molecular weight of 244.36 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-1-phenylsulfanylpropan-2-ol is sourced from PubChem (CID 138965294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).