(4-cyclohexylphenoxy)-dimethylsulfanium

C14H21OS+ — CID 139727859

IUPAC(4-cyclohexylphenoxy)-dimethylsulfanium
SMILESC[S+](C)Oc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C14H21OS/c1-16(2)15-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3/q+1
InChIKeyGTVFZVXPNFBHJZ-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.91
Rot. Bonds3

About (4-cyclohexylphenoxy)-dimethylsulfanium

(4-cyclohexylphenoxy)-dimethylsulfanium (PubChem CID 139727859) has the molecular formula C14H21OS+ and a molecular weight of 237.39 g/mol. Its IUPAC name is (4-cyclohexylphenoxy)-dimethylsulfanium.

Molecular Properties

Compound Name(4-cyclohexylphenoxy)-dimethylsulfanium
PubChem CID139727859
Molecular FormulaC14H21OS+
Molecular Weight237.39 g/mol
Exact Mass237.13
IUPAC Name(4-cyclohexylphenoxy)-dimethylsulfanium
SMILESC[S+](C)Oc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C14H21OS/c1-16(2)15-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3/q+1
InChIKeyGTVFZVXPNFBHJZ-UHFFFAOYSA-N
XLogP3.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.91
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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Related Compounds

bromomethane;1-cyclopentyl-4-methoxybenzene
CID 160663013
1-cyclohexyl-4-(methoxymethoxy)benzene
CID 143461597
1-cyclohexyl-4-(4-methoxyphenyl)benzene;ethene
CID 144983864
1-cyclohexyl-4-methylbenzene;methoxymethane
CID 143168317
(4-cyclohexylphenyl) dihydrogen phosphite
CID 20525486
1-(chloromethoxy)-4-cyclohexylbenzene
CID 166607753
1-cyclohexyl-4-ethenoxybenzene
CID 67464363
(4-cyclododecylphenyl) cyanate
CID 142705601
1-(4-cyclohexylcyclohexyl)-4-ethoxybenzene
CID 57277753
1-cyclohexyl-4-heptoxybenzene
CID 56628106
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441
2-(4-cyclohexylphenoxy)ethanamine
CID 542015

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylphenoxy)-dimethylsulfanium?
The IUPAC name of (4-cyclohexylphenoxy)-dimethylsulfanium (CID 139727859) is (4-cyclohexylphenoxy)-dimethylsulfanium.
What is the SMILES notation for (4-cyclohexylphenoxy)-dimethylsulfanium?
The canonical SMILES for (4-cyclohexylphenoxy)-dimethylsulfanium is C[S+](C)Oc1ccc(C2CCCCC2)cc1.
What is the InChIKey of (4-cyclohexylphenoxy)-dimethylsulfanium?
The InChIKey is GTVFZVXPNFBHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21OS/c1-16(2)15-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3/q+1.
What are the key properties of (4-cyclohexylphenoxy)-dimethylsulfanium?
(4-cyclohexylphenoxy)-dimethylsulfanium has a molecular weight of 237.39 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylphenoxy)-dimethylsulfanium is sourced from PubChem (CID 139727859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).