(2S)-5-phenyl-1-phenylsulfanylpentan-2-ol

C17H20OS — CID 13439565

IUPAC(2S)-5-phenyl-1-phenylsulfanylpentan-2-ol
SMILESO[C@@H](CCCc1ccccc1)CSc1ccccc1
InChIInChI=1S/C17H20OS/c18-16(14-19-17-12-5-2-6-13-17)11-7-10-15-8-3-1-4-9-15/h1-6,8-9,12-13,16,18H,7,10-11,14H2/t16-/m0/s1
InChIKeyOZWVBAKVQWQIRE-INIZCTEOSA-N
MW272.41 g/mol
LogP4.16
Rot. Bonds7

About (2S)-5-phenyl-1-phenylsulfanylpentan-2-ol

(2S)-5-phenyl-1-phenylsulfanylpentan-2-ol (PubChem CID 13439565) has the molecular formula C17H20OS and a molecular weight of 272.41 g/mol. Its IUPAC name is (2S)-5-phenyl-1-phenylsulfanylpentan-2-ol.

Molecular Properties

Compound Name(2S)-5-phenyl-1-phenylsulfanylpentan-2-ol
PubChem CID13439565
Molecular FormulaC17H20OS
Molecular Weight272.41 g/mol
Exact Mass272.12
IUPAC Name(2S)-5-phenyl-1-phenylsulfanylpentan-2-ol
SMILESO[C@@H](CCCc1ccccc1)CSc1ccccc1
InChIInChI=1S/C17H20OS/c18-16(14-19-17-12-5-2-6-13-17)11-7-10-15-8-3-1-4-9-15/h1-6,8-9,12-13,16,18H,7,10-11,14H2/t16-/m0/s1
InChIKeyOZWVBAKVQWQIRE-INIZCTEOSA-N
XLogP4.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 283796
1-[(Phenylthio)methyl]cyclohexanol
CID 329393
1-(Bis(phenylthio)methyl)cycloheptanol
CID 361771
1-(1-Hydroxy-2-phenylethyl)sulfanyl-2-phenylethanol
CID 163195816
4-Methyl-2,6-diphenylthian-4-ol
CID 4455365
4,4'-Bis(2-hydroxyethylthio)biphenyl
CID 2192654
2-Phenyl-2-phenylthioethanol
CID 11264720
1-(Phenylsulfanyl)-2-octanol
CID 11276474
trans-2-(p-Tolylthio)cyclohexanol
CID 11535899
(1S,2S)-2-(benzylsulfanyl)cyclohexan-1-ol
CID 11831041
1-Phenyl-3-(phenylthio)propan-1-ol
CID 12488334
trans-(1S,2S)-2-(4-methylphenyl)sulfanylcyclohexan-1-ol
CID 12922227

Frequently Asked Questions

What is the IUPAC name of (2S)-5-phenyl-1-phenylsulfanylpentan-2-ol?
The IUPAC name of (2S)-5-phenyl-1-phenylsulfanylpentan-2-ol (CID 13439565) is (2S)-5-phenyl-1-phenylsulfanylpentan-2-ol.
What is the SMILES notation for (2S)-5-phenyl-1-phenylsulfanylpentan-2-ol?
The canonical SMILES for (2S)-5-phenyl-1-phenylsulfanylpentan-2-ol is O[C@@H](CCCc1ccccc1)CSc1ccccc1.
What is the InChIKey of (2S)-5-phenyl-1-phenylsulfanylpentan-2-ol?
The InChIKey is OZWVBAKVQWQIRE-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20OS/c18-16(14-19-17-12-5-2-6-13-17)11-7-10-15-8-3-1-4-9-15/h1-6,8-9,12-13,16,18H,7,10-11,14H2/t16-/m0/s1.
What are the key properties of (2S)-5-phenyl-1-phenylsulfanylpentan-2-ol?
(2S)-5-phenyl-1-phenylsulfanylpentan-2-ol has a molecular weight of 272.41 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-phenyl-1-phenylsulfanylpentan-2-ol is sourced from PubChem (CID 13439565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).