cis-(1R,2S)-2-phenylsulfanylcyclopentan-1-ol

C11H14OS — CID 90662595

IUPACcis-(1R,2S)-2-phenylsulfanylcyclopentan-1-ol
SMILESO[C@@H]1CCC[C@@H]1Sc1ccccc1
InChIInChI=1S/C11H14OS/c12-10-7-4-8-11(10)13-9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2/t10-,11+/m1/s1
InChIKeyJIAWDQCLDCXYTK-MNOVXSKESA-N
MW194.30 g/mol
LogP2.69
Rot. Bonds2

About cis-(1R,2S)-2-phenylsulfanylcyclopentan-1-ol

cis-(1R,2S)-2-phenylsulfanylcyclopentan-1-ol (PubChem CID 90662595) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is cis-(1R,2S)-2-phenylsulfanylcyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-phenylsulfanylcyclopentan-1-ol
PubChem CID90662595
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Namecis-(1R,2S)-2-phenylsulfanylcyclopentan-1-ol
SMILESO[C@@H]1CCC[C@@H]1Sc1ccccc1
InChIInChI=1S/C11H14OS/c12-10-7-4-8-11(10)13-9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2/t10-,11+/m1/s1
InChIKeyJIAWDQCLDCXYTK-MNOVXSKESA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-phenylsulfanylcyclopentan-1-ol?
The IUPAC name of cis-(1R,2S)-2-phenylsulfanylcyclopentan-1-ol (CID 90662595) is cis-(1R,2S)-2-phenylsulfanylcyclopentan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-phenylsulfanylcyclopentan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-phenylsulfanylcyclopentan-1-ol is O[C@@H]1CCC[C@@H]1Sc1ccccc1.
What is the InChIKey of cis-(1R,2S)-2-phenylsulfanylcyclopentan-1-ol?
The InChIKey is JIAWDQCLDCXYTK-MNOVXSKESA-N. The full InChI is InChI=1S/C11H14OS/c12-10-7-4-8-11(10)13-9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2/t10-,11+/m1/s1.
What are the key properties of cis-(1R,2S)-2-phenylsulfanylcyclopentan-1-ol?
cis-(1R,2S)-2-phenylsulfanylcyclopentan-1-ol has a molecular weight of 194.30 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-phenylsulfanylcyclopentan-1-ol is sourced from PubChem (CID 90662595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).