(1-methylsulfanylcyclohexyl)-oxosulfanium

C7H13OS2+ — CID 174501763

IUPAC(1-methylsulfanylcyclohexyl)-oxosulfanium
SMILESCSC1([S+]=O)CCCCC1
InChIInChI=1S/C7H13OS2/c1-9-7(10-8)5-3-2-4-6-7/h2-6H2,1H3/q+1
InChIKeyGDXSWUIWMWMLCB-UHFFFAOYSA-N
MW177.31 g/mol
LogP2.44
Rot. Bonds2

About (1-methylsulfanylcyclohexyl)-oxosulfanium

(1-methylsulfanylcyclohexyl)-oxosulfanium (PubChem CID 174501763) has the molecular formula C7H13OS2+ and a molecular weight of 177.31 g/mol. Its IUPAC name is (1-methylsulfanylcyclohexyl)-oxosulfanium.

Molecular Properties

Compound Name(1-methylsulfanylcyclohexyl)-oxosulfanium
PubChem CID174501763
Molecular FormulaC7H13OS2+
Molecular Weight177.31 g/mol
Exact Mass177.04
IUPAC Name(1-methylsulfanylcyclohexyl)-oxosulfanium
SMILESCSC1([S+]=O)CCCCC1
InChIInChI=1S/C7H13OS2/c1-9-7(10-8)5-3-2-4-6-7/h2-6H2,1H3/q+1
InChIKeyGDXSWUIWMWMLCB-UHFFFAOYSA-N
XLogP2.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-methylsulfanylcyclopentane-1-carbaldehyde
CID 115011620
cyclopropane;ethane
CID 144519947
cyclopropane;ethane
CID 160958790
cyclobutane;ethane
CID 91611118
cyclobutane;cyclohexane;ethane
CID 159889841
cyclopropane;ethane
CID 143364855
cyclopropane;ethane
CID 158116673
cyclopropane;ethane
CID 158590246
cyclopropane;ethane
CID 167628168
N-ethyl-2-[(1-methylsulfanylcyclohexyl)methylamino]propanamide
CID 114116655
1-fluoro-1-methylcycloheptane
CID 57055784
N-[[1-(bromomethyl)cyclohexyl]methyl]-2-methylsulfanylacetamide
CID 103969662

Frequently Asked Questions

What is the IUPAC name of (1-methylsulfanylcyclohexyl)-oxosulfanium?
The IUPAC name of (1-methylsulfanylcyclohexyl)-oxosulfanium (CID 174501763) is (1-methylsulfanylcyclohexyl)-oxosulfanium.
What is the SMILES notation for (1-methylsulfanylcyclohexyl)-oxosulfanium?
The canonical SMILES for (1-methylsulfanylcyclohexyl)-oxosulfanium is CSC1([S+]=O)CCCCC1.
What is the InChIKey of (1-methylsulfanylcyclohexyl)-oxosulfanium?
The InChIKey is GDXSWUIWMWMLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13OS2/c1-9-7(10-8)5-3-2-4-6-7/h2-6H2,1H3/q+1.
What are the key properties of (1-methylsulfanylcyclohexyl)-oxosulfanium?
(1-methylsulfanylcyclohexyl)-oxosulfanium has a molecular weight of 177.31 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfanylcyclohexyl)-oxosulfanium is sourced from PubChem (CID 174501763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).