1-cyclohexyl-2,2,2-tris(methylsulfanyl)ethanol

C11H22OS3 — CID 10978417

IUPAC1-cyclohexyl-2,2,2-tris(methylsulfanyl)ethanol
SMILESCSC(SC)(SC)C(O)C1CCCCC1
InChIInChI=1S/C11H22OS3/c1-13-11(14-2,15-3)10(12)9-7-5-4-6-8-9/h9-10,12H,4-8H2,1-3H3
InChIKeyLZUKQABKFRXPQD-UHFFFAOYSA-N
MW266.50 g/mol
LogP3.67
Rot. Bonds5

About 1-cyclohexyl-2,2,2-tris(methylsulfanyl)ethanol

1-cyclohexyl-2,2,2-tris(methylsulfanyl)ethanol (PubChem CID 10978417) has the molecular formula C11H22OS3 and a molecular weight of 266.50 g/mol. Its IUPAC name is 1-cyclohexyl-2,2,2-tris(methylsulfanyl)ethanol.

Molecular Properties

Compound Name1-cyclohexyl-2,2,2-tris(methylsulfanyl)ethanol
PubChem CID10978417
Molecular FormulaC11H22OS3
Molecular Weight266.50 g/mol
Exact Mass266.08
IUPAC Name1-cyclohexyl-2,2,2-tris(methylsulfanyl)ethanol
SMILESCSC(SC)(SC)C(O)C1CCCCC1
InChIInChI=1S/C11H22OS3/c1-13-11(14-2,15-3)10(12)9-7-5-4-6-8-9/h9-10,12H,4-8H2,1-3H3
InChIKeyLZUKQABKFRXPQD-UHFFFAOYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.50
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexyl(1,3-dithian-2-yl)methanol
CID 12556860
(2S,3R)-1-(1,3-dithian-2-yl)-2-methylheptan-3-ol
CID 56945475
Cyclohexyl(1,3-dithiolan-2-yl)methanol
CID 102480166
2-(Methylthiomethyl)cyclohexan-1-ol
CID 126972050
2,6-Bis(methylthiomethyl)cyclohexan-1-ol
CID 129773590
cis-(1R,2S)-2-(1,3-dithian-2-ylmethyl)cyclohexan-1-ol
CID 135038715
1-Cyclohexyl-2-methylsulfanyl-2-methylsulfinylethanol
CID 135080524
Bljiivbyghcvjb-hosydedbsa-
CID 14383835
Bljiivbyghcvjb-jbldhepksa-
CID 21725923
methyl (3R,4R)-4-cyclohexyl-3-hydroxypentanedithioate
CID 21727024
2-(2-Methyl-1,3-dithian-2-yl)cyclohexan-1-ol
CID 18363966
1-Cyclohexyl-1-sulfanylbutan-2-ol
CID 19991442

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2,2,2-tris(methylsulfanyl)ethanol?
The IUPAC name of 1-cyclohexyl-2,2,2-tris(methylsulfanyl)ethanol (CID 10978417) is 1-cyclohexyl-2,2,2-tris(methylsulfanyl)ethanol.
What is the SMILES notation for 1-cyclohexyl-2,2,2-tris(methylsulfanyl)ethanol?
The canonical SMILES for 1-cyclohexyl-2,2,2-tris(methylsulfanyl)ethanol is CSC(SC)(SC)C(O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2,2,2-tris(methylsulfanyl)ethanol?
The InChIKey is LZUKQABKFRXPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OS3/c1-13-11(14-2,15-3)10(12)9-7-5-4-6-8-9/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 1-cyclohexyl-2,2,2-tris(methylsulfanyl)ethanol?
1-cyclohexyl-2,2,2-tris(methylsulfanyl)ethanol has a molecular weight of 266.50 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2,2,2-tris(methylsulfanyl)ethanol is sourced from PubChem (CID 10978417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).