[1-(1-ethylcyclopentyl)cyclopentyl]methanethiol

C13H24S — CID 91072791

IUPAC[1-(1-ethylcyclopentyl)cyclopentyl]methanethiol
SMILESCCC1(C2(CS)CCCC2)CCCC1
InChIInChI=1S/C13H24S/c1-2-12(7-3-4-8-12)13(11-14)9-5-6-10-13/h14H,2-11H2,1H3
InChIKeyLWMCGWTUSQVNNK-UHFFFAOYSA-N
MW212.40 g/mol
LogP4.45
Rot. Bonds3

About [1-(1-ethylcyclopentyl)cyclopentyl]methanethiol

[1-(1-ethylcyclopentyl)cyclopentyl]methanethiol (PubChem CID 91072791) has the molecular formula C13H24S and a molecular weight of 212.40 g/mol. Its IUPAC name is [1-(1-ethylcyclopentyl)cyclopentyl]methanethiol.

Molecular Properties

Compound Name[1-(1-ethylcyclopentyl)cyclopentyl]methanethiol
PubChem CID91072791
Molecular FormulaC13H24S
Molecular Weight212.40 g/mol
Exact Mass212.16
IUPAC Name[1-(1-ethylcyclopentyl)cyclopentyl]methanethiol
SMILESCCC1(C2(CS)CCCC2)CCCC1
InChIInChI=1S/C13H24S/c1-2-12(7-3-4-8-12)13(11-14)9-5-6-10-13/h14H,2-11H2,1H3
InChIKeyLWMCGWTUSQVNNK-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.40
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[1-(aminomethyl)cyclopentyl]methanethiol
CID 83678920
1,1-diethylcyclohexane;ethane
CID 142116480
1-butyl-1-(1-ethylcyclohexyl)cyclohexane
CID 173123724
[1-(azetidin-1-ylmethyl)cyclopentyl]methanethiol
CID 130548652
1-ethyl-1-(1-methylcyclobutyl)cyclobutane
CID 91359732
(1-ethylcycloheptyl)methanol
CID 56982411
(1-ethylcyclooctyl)methanamine
CID 80604065
ethane;1-ethyl-1-(fluoromethyl)cyclohexane
CID 142943476
[1-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]cyclopentyl]methanethiol
CID 102746571
[1,3,5-tripropyl-3,5-bis(sulfanylmethyl)cyclohexyl]methanethiol
CID 102497626
2-(1-ethylcycloheptyl)ethanol
CID 164557788
(2R)-1-ethyl-1-(1-ethylcyclopentyl)-2-methylcyclopentane
CID 163427402

Frequently Asked Questions

What is the IUPAC name of [1-(1-ethylcyclopentyl)cyclopentyl]methanethiol?
The IUPAC name of [1-(1-ethylcyclopentyl)cyclopentyl]methanethiol (CID 91072791) is [1-(1-ethylcyclopentyl)cyclopentyl]methanethiol.
What is the SMILES notation for [1-(1-ethylcyclopentyl)cyclopentyl]methanethiol?
The canonical SMILES for [1-(1-ethylcyclopentyl)cyclopentyl]methanethiol is CCC1(C2(CS)CCCC2)CCCC1.
What is the InChIKey of [1-(1-ethylcyclopentyl)cyclopentyl]methanethiol?
The InChIKey is LWMCGWTUSQVNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24S/c1-2-12(7-3-4-8-12)13(11-14)9-5-6-10-13/h14H,2-11H2,1H3.
What are the key properties of [1-(1-ethylcyclopentyl)cyclopentyl]methanethiol?
[1-(1-ethylcyclopentyl)cyclopentyl]methanethiol has a molecular weight of 212.40 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-ethylcyclopentyl)cyclopentyl]methanethiol is sourced from PubChem (CID 91072791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).