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

C11H20OS2 — CID 106497646

IUPAC[1-(oxolan-2-ylmethylsulfanylmethyl)cyclobutyl]methanethiol
SMILESSCC1(CSCC2CCCO2)CCC1
InChIInChI=1S/C11H20OS2/c13-8-11(4-2-5-11)9-14-7-10-3-1-6-12-10/h10,13H,1-9H2
InChIKeyYUHNMXIVORVGCU-UHFFFAOYSA-N
MW232.41 g/mol
LogP3.00
Rot. Bonds5

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

[1-(oxolan-2-ylmethylsulfanylmethyl)cyclobutyl]methanethiol (PubChem CID 106497646) has the molecular formula C11H20OS2 and a molecular weight of 232.41 g/mol. Its IUPAC name is [1-(oxolan-2-ylmethylsulfanylmethyl)cyclobutyl]methanethiol.

Molecular Properties

Compound Name[1-(oxolan-2-ylmethylsulfanylmethyl)cyclobutyl]methanethiol
PubChem CID106497646
Molecular FormulaC11H20OS2
Molecular Weight232.41 g/mol
Exact Mass232.10
IUPAC Name[1-(oxolan-2-ylmethylsulfanylmethyl)cyclobutyl]methanethiol
SMILESSCC1(CSCC2CCCO2)CCC1
InChIInChI=1S/C11H20OS2/c13-8-11(4-2-5-11)9-14-7-10-3-1-6-12-10/h10,13H,1-9H2
InChIKeyYUHNMXIVORVGCU-UHFFFAOYSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.41
LogP ≤ 53.00
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

[1-(Oxan-4-ylsulfanylmethyl)cyclobutyl]methanethiol
CID 80032300
2-[[1-(Bromomethyl)cyclobutyl]methylsulfanylmethyl]oxolane
CID 106493688
3,3-Dimethyl-2-(oxolan-2-ylmethylsulfanylmethyl)butane-1-thiol
CID 106497614
2-Ethyl-2-(oxolan-2-ylmethylsulfanylmethyl)butane-1-thiol
CID 106497620
2-(Oxolan-2-ylmethylsulfanylmethyl)pentane-1-thiol
CID 106497624
[1-(Oxolan-2-ylmethylsulfanylmethyl)cyclopentyl]methanethiol
CID 106497627
[1-(Oxolan-2-ylmethylsulfanylmethyl)cyclopropyl]methanethiol
CID 106497641
2,2-Dimethyl-3-(oxolan-2-ylmethylsulfanyl)propane-1-thiol
CID 106497645
2-Ethyl-2-[(2-methyloxolan-3-yl)sulfanylmethyl]butane-1-thiol
CID 107766396
3,3-Dimethyl-2-[(2-methyloxolan-3-yl)sulfanylmethyl]butane-1-thiol
CID 107766404
[1-[(2-Methyloxolan-3-yl)sulfanylmethyl]cyclopentyl]methanethiol
CID 107766408
2-[(2-Methyloxolan-3-yl)sulfanylmethyl]pentane-1-thiol
CID 107766410

Frequently Asked Questions

What is the IUPAC name of [1-(oxolan-2-ylmethylsulfanylmethyl)cyclobutyl]methanethiol?
The IUPAC name of [1-(oxolan-2-ylmethylsulfanylmethyl)cyclobutyl]methanethiol (CID 106497646) is [1-(oxolan-2-ylmethylsulfanylmethyl)cyclobutyl]methanethiol.
What is the SMILES notation for [1-(oxolan-2-ylmethylsulfanylmethyl)cyclobutyl]methanethiol?
The canonical SMILES for [1-(oxolan-2-ylmethylsulfanylmethyl)cyclobutyl]methanethiol is SCC1(CSCC2CCCO2)CCC1.
What is the InChIKey of [1-(oxolan-2-ylmethylsulfanylmethyl)cyclobutyl]methanethiol?
The InChIKey is YUHNMXIVORVGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS2/c13-8-11(4-2-5-11)9-14-7-10-3-1-6-12-10/h10,13H,1-9H2.
What are the key properties of [1-(oxolan-2-ylmethylsulfanylmethyl)cyclobutyl]methanethiol?
[1-(oxolan-2-ylmethylsulfanylmethyl)cyclobutyl]methanethiol has a molecular weight of 232.41 g/mol, XLogP of 3.00, 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)cyclobutyl]methanethiol is sourced from PubChem (CID 106497646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).