trans-(1R,2R)-2-ethylsulfanylcyclohexan-1-ol

C8H16OS — CID 12789794

IUPACtrans-(1R,2R)-2-ethylsulfanylcyclohexan-1-ol
SMILESCCS[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C8H16OS/c1-2-10-8-6-4-3-5-7(8)9/h7-9H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyGHIANSMRVHNBTE-HTQZYQBOSA-N
MW160.28 g/mol
LogP2.04
Rot. Bonds2

About trans-(1R,2R)-2-ethylsulfanylcyclohexan-1-ol

trans-(1R,2R)-2-ethylsulfanylcyclohexan-1-ol (PubChem CID 12789794) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is trans-(1R,2R)-2-ethylsulfanylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-ethylsulfanylcyclohexan-1-ol
PubChem CID12789794
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Nametrans-(1R,2R)-2-ethylsulfanylcyclohexan-1-ol
SMILESCCS[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C8H16OS/c1-2-10-8-6-4-3-5-7(8)9/h7-9H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyGHIANSMRVHNBTE-HTQZYQBOSA-N
XLogP2.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2R)-2-ethylsulfanylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-ethylsulfanylcyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-ethylsulfanylcyclohexan-1-ol (CID 12789794) is trans-(1R,2R)-2-ethylsulfanylcyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-ethylsulfanylcyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-ethylsulfanylcyclohexan-1-ol is CCS[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-ethylsulfanylcyclohexan-1-ol?
The InChIKey is GHIANSMRVHNBTE-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16OS/c1-2-10-8-6-4-3-5-7(8)9/h7-9H,2-6H2,1H3/t7-,8-/m1/s1.
What are the key properties of trans-(1R,2R)-2-ethylsulfanylcyclohexan-1-ol?
trans-(1R,2R)-2-ethylsulfanylcyclohexan-1-ol has a molecular weight of 160.28 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-ethylsulfanylcyclohexan-1-ol is sourced from PubChem (CID 12789794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).