(3S)-1-phenylsulfanylpentan-3-ol

C11H16OS — CID 10867262

IUPAC(3S)-1-phenylsulfanylpentan-3-ol
SMILESCC[C@H](O)CCSc1ccccc1
InChIInChI=1S/C11H16OS/c1-2-10(12)8-9-13-11-6-4-3-5-7-11/h3-7,10,12H,2,8-9H2,1H3/t10-/m0/s1
InChIKeyPMERGQPHAHQTFA-JTQLQIEISA-N
MW196.32 g/mol
LogP2.94
Rot. Bonds5

About (3S)-1-phenylsulfanylpentan-3-ol

(3S)-1-phenylsulfanylpentan-3-ol (PubChem CID 10867262) has the molecular formula C11H16OS and a molecular weight of 196.32 g/mol. Its IUPAC name is (3S)-1-phenylsulfanylpentan-3-ol.

Molecular Properties

Compound Name(3S)-1-phenylsulfanylpentan-3-ol
PubChem CID10867262
Molecular FormulaC11H16OS
Molecular Weight196.32 g/mol
Exact Mass196.09
IUPAC Name(3S)-1-phenylsulfanylpentan-3-ol
SMILESCC[C@H](O)CCSc1ccccc1
InChIInChI=1S/C11H16OS/c1-2-10(12)8-9-13-11-6-4-3-5-7-11/h3-7,10,12H,2,8-9H2,1H3/t10-/m0/s1
InChIKeyPMERGQPHAHQTFA-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

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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-(Phenylsulfonyl)ethanol
CID 30202
3-Phenylthiopropan-2-one
CID 247129
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

Frequently Asked Questions

What is the IUPAC name of (3S)-1-phenylsulfanylpentan-3-ol?
The IUPAC name of (3S)-1-phenylsulfanylpentan-3-ol (CID 10867262) is (3S)-1-phenylsulfanylpentan-3-ol.
What is the SMILES notation for (3S)-1-phenylsulfanylpentan-3-ol?
The canonical SMILES for (3S)-1-phenylsulfanylpentan-3-ol is CC[C@H](O)CCSc1ccccc1.
What is the InChIKey of (3S)-1-phenylsulfanylpentan-3-ol?
The InChIKey is PMERGQPHAHQTFA-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16OS/c1-2-10(12)8-9-13-11-6-4-3-5-7-11/h3-7,10,12H,2,8-9H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-1-phenylsulfanylpentan-3-ol?
(3S)-1-phenylsulfanylpentan-3-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 (3S)-1-phenylsulfanylpentan-3-ol is sourced from PubChem (CID 10867262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).