dimethyl-[(1S,2S)-2-methylcyclohexyl]oxysulfanium

C9H19OS+ — CID 10778753

IUPACdimethyl-[(1S,2S)-2-methylcyclohexyl]oxysulfanium
SMILESC[C@H]1CCCC[C@@H]1O[S+](C)C
InChIInChI=1S/C9H19OS/c1-8-6-4-5-7-9(8)10-11(2)3/h8-9H,4-7H2,1-3H3/q+1/t8-,9-/m0/s1
InChIKeyNBSJFLAHQIBHJV-IUCAKERBSA-N
MW175.32 g/mol
LogP2.37
Rot. Bonds2

About dimethyl-[(1S,2S)-2-methylcyclohexyl]oxysulfanium

dimethyl-[(1S,2S)-2-methylcyclohexyl]oxysulfanium (PubChem CID 10778753) has the molecular formula C9H19OS+ and a molecular weight of 175.32 g/mol. Its IUPAC name is dimethyl-[(1S,2S)-2-methylcyclohexyl]oxysulfanium.

Molecular Properties

Compound Namedimethyl-[(1S,2S)-2-methylcyclohexyl]oxysulfanium
PubChem CID10778753
Molecular FormulaC9H19OS+
Molecular Weight175.32 g/mol
Exact Mass175.12
IUPAC Namedimethyl-[(1S,2S)-2-methylcyclohexyl]oxysulfanium
SMILESC[C@H]1CCCC[C@@H]1O[S+](C)C
InChIInChI=1S/C9H19OS/c1-8-6-4-5-7-9(8)10-11(2)3/h8-9H,4-7H2,1-3H3/q+1/t8-,9-/m0/s1
InChIKeyNBSJFLAHQIBHJV-IUCAKERBSA-N
XLogP2.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.32
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[(1S,2S)-2-methylcyclohexyl]oxysulfanium?
The IUPAC name of dimethyl-[(1S,2S)-2-methylcyclohexyl]oxysulfanium (CID 10778753) is dimethyl-[(1S,2S)-2-methylcyclohexyl]oxysulfanium.
What is the SMILES notation for dimethyl-[(1S,2S)-2-methylcyclohexyl]oxysulfanium?
The canonical SMILES for dimethyl-[(1S,2S)-2-methylcyclohexyl]oxysulfanium is C[C@H]1CCCC[C@@H]1O[S+](C)C.
What is the InChIKey of dimethyl-[(1S,2S)-2-methylcyclohexyl]oxysulfanium?
The InChIKey is NBSJFLAHQIBHJV-IUCAKERBSA-N. The full InChI is InChI=1S/C9H19OS/c1-8-6-4-5-7-9(8)10-11(2)3/h8-9H,4-7H2,1-3H3/q+1/t8-,9-/m0/s1.
What are the key properties of dimethyl-[(1S,2S)-2-methylcyclohexyl]oxysulfanium?
dimethyl-[(1S,2S)-2-methylcyclohexyl]oxysulfanium has a molecular weight of 175.32 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(1S,2S)-2-methylcyclohexyl]oxysulfanium is sourced from PubChem (CID 10778753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).