trans-(1S,2S)-2-phenylsulfanylcyclohexan-1-ol

C12H16OS — CID 10943711

IUPACtrans-(1S,2S)-2-phenylsulfanylcyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1Sc1ccccc1
InChIInChI=1S/C12H16OS/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-3,6-7,11-13H,4-5,8-9H2/t11-,12-/m0/s1
InChIKeyFLFDJSCCPRMYPE-RYUDHWBXSA-N
MW208.33 g/mol
LogP3.08
Rot. Bonds2

About trans-(1S,2S)-2-phenylsulfanylcyclohexan-1-ol

trans-(1S,2S)-2-phenylsulfanylcyclohexan-1-ol (PubChem CID 10943711) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is trans-(1S,2S)-2-phenylsulfanylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-phenylsulfanylcyclohexan-1-ol
PubChem CID10943711
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Nametrans-(1S,2S)-2-phenylsulfanylcyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1Sc1ccccc1
InChIInChI=1S/C12H16OS/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-3,6-7,11-13H,4-5,8-9H2/t11-,12-/m0/s1
InChIKeyFLFDJSCCPRMYPE-RYUDHWBXSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-phenylsulfanylcyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-phenylsulfanylcyclohexan-1-ol (CID 10943711) is trans-(1S,2S)-2-phenylsulfanylcyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-phenylsulfanylcyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-phenylsulfanylcyclohexan-1-ol is O[C@H]1CCCC[C@@H]1Sc1ccccc1.
What is the InChIKey of trans-(1S,2S)-2-phenylsulfanylcyclohexan-1-ol?
The InChIKey is FLFDJSCCPRMYPE-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H16OS/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-3,6-7,11-13H,4-5,8-9H2/t11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-phenylsulfanylcyclohexan-1-ol?
trans-(1S,2S)-2-phenylsulfanylcyclohexan-1-ol has a molecular weight of 208.33 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-phenylsulfanylcyclohexan-1-ol is sourced from PubChem (CID 10943711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).