(1S,2S)-2-phenylsulfanylcyclopent-3-en-1-ol

C11H12OS — CID 13174092

IUPAC(1S,2S)-2-phenylsulfanylcyclopent-3-en-1-ol
SMILESO[C@H]1CC=C[C@@H]1Sc1ccccc1
InChIInChI=1S/C11H12OS/c12-10-7-4-8-11(10)13-9-5-2-1-3-6-9/h1-6,8,10-12H,7H2/t10-,11-/m0/s1
InChIKeyTUOULWVOGRFLNY-QWRGUYRKSA-N
MW192.28 g/mol
LogP2.47
Rot. Bonds2

About (1S,2S)-2-phenylsulfanylcyclopent-3-en-1-ol

(1S,2S)-2-phenylsulfanylcyclopent-3-en-1-ol (PubChem CID 13174092) has the molecular formula C11H12OS and a molecular weight of 192.28 g/mol. Its IUPAC name is (1S,2S)-2-phenylsulfanylcyclopent-3-en-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-phenylsulfanylcyclopent-3-en-1-ol
PubChem CID13174092
Molecular FormulaC11H12OS
Molecular Weight192.28 g/mol
Exact Mass192.06
IUPAC Name(1S,2S)-2-phenylsulfanylcyclopent-3-en-1-ol
SMILESO[C@H]1CC=C[C@@H]1Sc1ccccc1
InChIInChI=1S/C11H12OS/c12-10-7-4-8-11(10)13-9-5-2-1-3-6-9/h1-6,8,10-12H,7H2/t10-,11-/m0/s1
InChIKeyTUOULWVOGRFLNY-QWRGUYRKSA-N
XLogP2.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-phenylsulfanylcyclopent-3-en-1-ol?
The IUPAC name of (1S,2S)-2-phenylsulfanylcyclopent-3-en-1-ol (CID 13174092) is (1S,2S)-2-phenylsulfanylcyclopent-3-en-1-ol.
What is the SMILES notation for (1S,2S)-2-phenylsulfanylcyclopent-3-en-1-ol?
The canonical SMILES for (1S,2S)-2-phenylsulfanylcyclopent-3-en-1-ol is O[C@H]1CC=C[C@@H]1Sc1ccccc1.
What is the InChIKey of (1S,2S)-2-phenylsulfanylcyclopent-3-en-1-ol?
The InChIKey is TUOULWVOGRFLNY-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H12OS/c12-10-7-4-8-11(10)13-9-5-2-1-3-6-9/h1-6,8,10-12H,7H2/t10-,11-/m0/s1.
What are the key properties of (1S,2S)-2-phenylsulfanylcyclopent-3-en-1-ol?
(1S,2S)-2-phenylsulfanylcyclopent-3-en-1-ol has a molecular weight of 192.28 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-phenylsulfanylcyclopent-3-en-1-ol is sourced from PubChem (CID 13174092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).