[1-(oxolan-2-ylmethylsulfanylmethyl)cyclopentyl]methanethiol

C12H22OS2 — CID 106497627

IUPAC[1-(oxolan-2-ylmethylsulfanylmethyl)cyclopentyl]methanethiol
SMILESSCC1(CSCC2CCCO2)CCCC1
InChIInChI=1S/C12H22OS2/c14-9-12(5-1-2-6-12)10-15-8-11-4-3-7-13-11/h11,14H,1-10H2
InChIKeyTYKPPOMCHVGWIJ-UHFFFAOYSA-N
MW246.44 g/mol
LogP3.39
Rot. Bonds5

About [1-(oxolan-2-ylmethylsulfanylmethyl)cyclopentyl]methanethiol

[1-(oxolan-2-ylmethylsulfanylmethyl)cyclopentyl]methanethiol (PubChem CID 106497627) has the molecular formula C12H22OS2 and a molecular weight of 246.44 g/mol. Its IUPAC name is [1-(oxolan-2-ylmethylsulfanylmethyl)cyclopentyl]methanethiol.

Molecular Properties

Compound Name[1-(oxolan-2-ylmethylsulfanylmethyl)cyclopentyl]methanethiol
PubChem CID106497627
Molecular FormulaC12H22OS2
Molecular Weight246.44 g/mol
Exact Mass246.11
IUPAC Name[1-(oxolan-2-ylmethylsulfanylmethyl)cyclopentyl]methanethiol
SMILESSCC1(CSCC2CCCO2)CCCC1
InChIInChI=1S/C12H22OS2/c14-9-12(5-1-2-6-12)10-15-8-11-4-3-7-13-11/h11,14H,1-10H2
InChIKeyTYKPPOMCHVGWIJ-UHFFFAOYSA-N
XLogP3.39
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-ethyl-5-ethylsulfanyl-3,3-dimethyloxolane
CID 89397464
[4-(Cyclopentylmethylsulfanylmethyl)oxan-4-yl]methanethiol
CID 80032487
[1-(Oxan-4-ylsulfanylmethyl)cyclopentyl]methanethiol
CID 80033617
2-[[1-(Bromomethyl)cyclopentyl]methylsulfanylmethyl]oxolane
CID 106493713
2-Ethyl-2-(oxolan-2-ylmethylsulfanylmethyl)butane-1-thiol
CID 106497620
[1-(Oxolan-2-ylmethylsulfanylmethyl)cyclohexyl]methanethiol
CID 106497634
[1-(Oxolan-2-ylmethylsulfanylmethyl)cycloheptyl]methanethiol
CID 106497635
[4-(Oxolan-2-ylmethylsulfanylmethyl)oxan-4-yl]methanethiol
CID 106497639
[1-(Oxolan-2-ylmethylsulfanylmethyl)cyclobutyl]methanethiol
CID 106497646
2-Ethyl-2-[(2-methyloxolan-3-yl)sulfanylmethyl]butane-1-thiol
CID 107766396
[1-[(2-Methyloxolan-3-yl)sulfanylmethyl]cyclopentyl]methanethiol
CID 107766408
2-[(2-Methyloxolan-3-yl)sulfanylmethyl]-2-propylpentane-1-thiol
CID 107766419

Frequently Asked Questions

What is the IUPAC name of [1-(oxolan-2-ylmethylsulfanylmethyl)cyclopentyl]methanethiol?
The IUPAC name of [1-(oxolan-2-ylmethylsulfanylmethyl)cyclopentyl]methanethiol (CID 106497627) is [1-(oxolan-2-ylmethylsulfanylmethyl)cyclopentyl]methanethiol.
What is the SMILES notation for [1-(oxolan-2-ylmethylsulfanylmethyl)cyclopentyl]methanethiol?
The canonical SMILES for [1-(oxolan-2-ylmethylsulfanylmethyl)cyclopentyl]methanethiol is SCC1(CSCC2CCCO2)CCCC1.
What is the InChIKey of [1-(oxolan-2-ylmethylsulfanylmethyl)cyclopentyl]methanethiol?
The InChIKey is TYKPPOMCHVGWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22OS2/c14-9-12(5-1-2-6-12)10-15-8-11-4-3-7-13-11/h11,14H,1-10H2.
What are the key properties of [1-(oxolan-2-ylmethylsulfanylmethyl)cyclopentyl]methanethiol?
[1-(oxolan-2-ylmethylsulfanylmethyl)cyclopentyl]methanethiol has a molecular weight of 246.44 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxolan-2-ylmethylsulfanylmethyl)cyclopentyl]methanethiol is sourced from PubChem (CID 106497627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).