(2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-ol

C11H22OS — CID 59948695

IUPAC(2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-ol
SMILESCCSC[C@@H](O)CC1CCCCC1
InChIInChI=1S/C11H22OS/c1-2-13-9-11(12)8-10-6-4-3-5-7-10/h10-12H,2-9H2,1H3/t11-/m0/s1
InChIKeyLLVCRQXLMATWKP-NSHDSACASA-N
MW202.36 g/mol
LogP3.07
Rot. Bonds5

About (2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-ol

(2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-ol (PubChem CID 59948695) has the molecular formula C11H22OS and a molecular weight of 202.36 g/mol. Its IUPAC name is (2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-ol
PubChem CID59948695
Molecular FormulaC11H22OS
Molecular Weight202.36 g/mol
Exact Mass202.14
IUPAC Name(2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-ol
SMILESCCSC[C@@H](O)CC1CCCCC1
InChIInChI=1S/C11H22OS/c1-2-13-9-11(12)8-10-6-4-3-5-7-10/h10-12H,2-9H2,1H3/t11-/m0/s1
InChIKeyLLVCRQXLMATWKP-NSHDSACASA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-ol?
The IUPAC name of (2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-ol (CID 59948695) is (2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-ol.
What is the SMILES notation for (2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-ol?
The canonical SMILES for (2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-ol is CCSC[C@@H](O)CC1CCCCC1.
What is the InChIKey of (2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-ol?
The InChIKey is LLVCRQXLMATWKP-NSHDSACASA-N. The full InChI is InChI=1S/C11H22OS/c1-2-13-9-11(12)8-10-6-4-3-5-7-10/h10-12H,2-9H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-ol?
(2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-ol has a molecular weight of 202.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-ol is sourced from PubChem (CID 59948695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).