2-[(1R,2S)-2-methylsulfanylcyclohexyl]-1,3-dioxolane

C10H18O2S — CID 101125859

IUPAC2-[(1R,2S)-2-methylsulfanylcyclohexyl]-1,3-dioxolane
SMILESCS[C@H]1CCCC[C@@H]1C1OCCO1
InChIInChI=1S/C10H18O2S/c1-13-9-5-3-2-4-8(9)10-11-6-7-12-10/h8-10H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeySUUYPVOBCWQTEW-IUCAKERBSA-N
MW202.32 g/mol
LogP2.28
Rot. Bonds2

About 2-[(1R,2S)-2-methylsulfanylcyclohexyl]-1,3-dioxolane

2-[(1R,2S)-2-methylsulfanylcyclohexyl]-1,3-dioxolane (PubChem CID 101125859) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is 2-[(1R,2S)-2-methylsulfanylcyclohexyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(1R,2S)-2-methylsulfanylcyclohexyl]-1,3-dioxolane
PubChem CID101125859
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name2-[(1R,2S)-2-methylsulfanylcyclohexyl]-1,3-dioxolane
SMILESCS[C@H]1CCCC[C@@H]1C1OCCO1
InChIInChI=1S/C10H18O2S/c1-13-9-5-3-2-4-8(9)10-11-6-7-12-10/h8-10H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeySUUYPVOBCWQTEW-IUCAKERBSA-N
XLogP2.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-2-methylsulfanylcyclohexyl]-1,3-dioxolane?
The IUPAC name of 2-[(1R,2S)-2-methylsulfanylcyclohexyl]-1,3-dioxolane (CID 101125859) is 2-[(1R,2S)-2-methylsulfanylcyclohexyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(1R,2S)-2-methylsulfanylcyclohexyl]-1,3-dioxolane?
The canonical SMILES for 2-[(1R,2S)-2-methylsulfanylcyclohexyl]-1,3-dioxolane is CS[C@H]1CCCC[C@@H]1C1OCCO1.
What is the InChIKey of 2-[(1R,2S)-2-methylsulfanylcyclohexyl]-1,3-dioxolane?
The InChIKey is SUUYPVOBCWQTEW-IUCAKERBSA-N. The full InChI is InChI=1S/C10H18O2S/c1-13-9-5-3-2-4-8(9)10-11-6-7-12-10/h8-10H,2-7H2,1H3/t8-,9-/m0/s1.
What are the key properties of 2-[(1R,2S)-2-methylsulfanylcyclohexyl]-1,3-dioxolane?
2-[(1R,2S)-2-methylsulfanylcyclohexyl]-1,3-dioxolane has a molecular weight of 202.32 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-2-methylsulfanylcyclohexyl]-1,3-dioxolane is sourced from PubChem (CID 101125859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).