1-(3-ethylcyclohexyl)ethanethione

C10H18S — CID 175971098

IUPAC1-(3-ethylcyclohexyl)ethanethione
SMILESCCC1CCCC(C(C)=S)C1
InChIInChI=1S/C10H18S/c1-3-9-5-4-6-10(7-9)8(2)11/h9-10H,3-7H2,1-2H3
InChIKeyYGAHRUQCHCDEKH-UHFFFAOYSA-N
MW170.32 g/mol
LogP3.59
Rot. Bonds2

About 1-(3-ethylcyclohexyl)ethanethione

1-(3-ethylcyclohexyl)ethanethione (PubChem CID 175971098) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is 1-(3-ethylcyclohexyl)ethanethione.

Molecular Properties

Compound Name1-(3-ethylcyclohexyl)ethanethione
PubChem CID175971098
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name1-(3-ethylcyclohexyl)ethanethione
SMILESCCC1CCCC(C(C)=S)C1
InChIInChI=1S/C10H18S/c1-3-9-5-4-6-10(7-9)8(2)11/h9-10H,3-7H2,1-2H3
InChIKeyYGAHRUQCHCDEKH-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(3-ethylcyclohexyl)-(3-ethylcyclopentyl)methanone
CID 65406793
1-(3-ethylcyclohexyl)-3-methylbut-2-en-1-one
CID 79190045
2-amino-1-(3-ethylcyclohexyl)ethanone
CID 116548368
[(1S,3R)-3-ethylcyclohexyl]methanol
CID 14940078
1-(3-ethylcyclohexyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456180
2-(dimethylamino)-1-(3-ethylcyclohexyl)ethanone
CID 79078321
3-ethylcyclopentane-1-carbothioamide
CID 65413677
1-(3-ethylcyclohexyl)-2-methyl-2-(methylamino)propan-1-one
CID 116566302
1-(3-ethylcyclohexyl)decan-1-one
CID 65401916
(3-ethylcyclohexyl)-(oxan-4-yl)methanone
CID 65329371
methyl 3-ethylcyclohexane-1-carboximidate
CID 65415415
2-(1,3-dioxolan-2-yl)-1-(3-ethylcyclohexyl)ethanone
CID 103543718

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclohexyl)ethanethione?
The IUPAC name of 1-(3-ethylcyclohexyl)ethanethione (CID 175971098) is 1-(3-ethylcyclohexyl)ethanethione.
What is the SMILES notation for 1-(3-ethylcyclohexyl)ethanethione?
The canonical SMILES for 1-(3-ethylcyclohexyl)ethanethione is CCC1CCCC(C(C)=S)C1.
What is the InChIKey of 1-(3-ethylcyclohexyl)ethanethione?
The InChIKey is YGAHRUQCHCDEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S/c1-3-9-5-4-6-10(7-9)8(2)11/h9-10H,3-7H2,1-2H3.
What are the key properties of 1-(3-ethylcyclohexyl)ethanethione?
1-(3-ethylcyclohexyl)ethanethione has a molecular weight of 170.32 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclohexyl)ethanethione is sourced from PubChem (CID 175971098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).