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

C11H16OS — CID 10012926

IUPAC(2S)-5-phenylsulfanylpentan-2-ol
SMILESC[C@H](O)CCCSc1ccccc1
InChIInChI=1S/C11H16OS/c1-10(12)6-5-9-13-11-7-3-2-4-8-11/h2-4,7-8,10,12H,5-6,9H2,1H3/t10-/m0/s1
InChIKeyCYWJNXOXFOZDAD-JTQLQIEISA-N
MW196.32 g/mol
LogP2.94
Rot. Bonds5

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

(2S)-5-phenylsulfanylpentan-2-ol (PubChem CID 10012926) has the molecular formula C11H16OS and a molecular weight of 196.32 g/mol. Its IUPAC name is (2S)-5-phenylsulfanylpentan-2-ol.

Molecular Properties

Compound Name(2S)-5-phenylsulfanylpentan-2-ol
PubChem CID10012926
Molecular FormulaC11H16OS
Molecular Weight196.32 g/mol
Exact Mass196.09
IUPAC Name(2S)-5-phenylsulfanylpentan-2-ol
SMILESC[C@H](O)CCCSc1ccccc1
InChIInChI=1S/C11H16OS/c1-10(12)6-5-9-13-11-7-3-2-4-8-11/h2-4,7-8,10,12H,5-6,9H2,1H3/t10-/m0/s1
InChIKeyCYWJNXOXFOZDAD-JTQLQIEISA-N
XLogP2.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(Phenylthio)ethanol
CID 69685
1-(Phenylthio)-2-propanol
CID 99788
3-(Phenylthio)-1,2-propanediol
CID 21231
2-((Phenylsulfanyl)methyl)oxirane
CID 11094998
((2-Hydroxy-3-(phenylsulfanyl)propyl)sulfanyl)benzene
CID 12671306
3-(Phenylsulfanyl)propan-1-ol
CID 5155841
2-(4-Fluoro-phenylsulfanyl)-ethanol
CID 2759148
2-(Phenylsulfanyl)cyclohexanol
CID 278135
2-Propanol, 1-(phenylsulfonyl)-, (S)-
CID 11127286
1-(Benzenesulfonyl)hept-2-yn-4-ol
CID 44326882
cis-(1R,2S)-2-phenylsulfanylcyclopentan-1-ol
CID 90662595
[(2-Ethoxyethyl)sulfanyl]benzene
CID 271506

Frequently Asked Questions

What is the IUPAC name of (2S)-5-phenylsulfanylpentan-2-ol?
The IUPAC name of (2S)-5-phenylsulfanylpentan-2-ol (CID 10012926) is (2S)-5-phenylsulfanylpentan-2-ol.
What is the SMILES notation for (2S)-5-phenylsulfanylpentan-2-ol?
The canonical SMILES for (2S)-5-phenylsulfanylpentan-2-ol is C[C@H](O)CCCSc1ccccc1.
What is the InChIKey of (2S)-5-phenylsulfanylpentan-2-ol?
The InChIKey is CYWJNXOXFOZDAD-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16OS/c1-10(12)6-5-9-13-11-7-3-2-4-8-11/h2-4,7-8,10,12H,5-6,9H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-5-phenylsulfanylpentan-2-ol?
(2S)-5-phenylsulfanylpentan-2-ol has a molecular weight of 196.32 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-phenylsulfanylpentan-2-ol is sourced from PubChem (CID 10012926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).