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

C13H24OS2 — CID 106497634

IUPAC[1-(oxolan-2-ylmethylsulfanylmethyl)cyclohexyl]methanethiol
SMILESSCC1(CSCC2CCCO2)CCCCC1
InChIInChI=1S/C13H24OS2/c15-10-13(6-2-1-3-7-13)11-16-9-12-5-4-8-14-12/h12,15H,1-11H2
InChIKeyYTJUPMKDPYKYOR-UHFFFAOYSA-N
MW260.47 g/mol
LogP3.78
Rot. Bonds5

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

[1-(oxolan-2-ylmethylsulfanylmethyl)cyclohexyl]methanethiol (PubChem CID 106497634) has the molecular formula C13H24OS2 and a molecular weight of 260.47 g/mol. Its IUPAC name is [1-(oxolan-2-ylmethylsulfanylmethyl)cyclohexyl]methanethiol.

Molecular Properties

Compound Name[1-(oxolan-2-ylmethylsulfanylmethyl)cyclohexyl]methanethiol
PubChem CID106497634
Molecular FormulaC13H24OS2
Molecular Weight260.47 g/mol
Exact Mass260.13
IUPAC Name[1-(oxolan-2-ylmethylsulfanylmethyl)cyclohexyl]methanethiol
SMILESSCC1(CSCC2CCCO2)CCCCC1
InChIInChI=1S/C13H24OS2/c15-10-13(6-2-1-3-7-13)11-16-9-12-5-4-8-14-12/h12,15H,1-11H2
InChIKeyYTJUPMKDPYKYOR-UHFFFAOYSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-(oxolan-2-ylmethylsulfanylmethyl)cyclohexyl]methanethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8,8-Dimethyl-1-oxa-4-thiaspiro[4.5]decane
CID 150171275
[1-(Oxan-4-ylsulfanylmethyl)cyclohexyl]methanethiol
CID 80032485
2-[[1-(Bromomethyl)cyclohexyl]methylsulfanylmethyl]oxolane
CID 106493708
2-Ethyl-2-(oxolan-2-ylmethylsulfanylmethyl)butane-1-thiol
CID 106497620
[1-(Oxolan-2-ylmethylsulfanylmethyl)cyclopentyl]methanethiol
CID 106497627
[1-(Oxolan-2-ylmethylsulfanylmethyl)cycloheptyl]methanethiol
CID 106497635
[4-(Oxolan-2-ylmethylsulfanylmethyl)oxan-4-yl]methanethiol
CID 106497639
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
[1-[(2-Methyloxolan-3-yl)sulfanylmethyl]cyclohexyl]methanethiol
CID 107766426
[1-[(2-Methyloxolan-3-yl)sulfanylmethyl]cycloheptyl]methanethiol
CID 107766428

Frequently Asked Questions

What is the IUPAC name of [1-(oxolan-2-ylmethylsulfanylmethyl)cyclohexyl]methanethiol?
The IUPAC name of [1-(oxolan-2-ylmethylsulfanylmethyl)cyclohexyl]methanethiol (CID 106497634) is [1-(oxolan-2-ylmethylsulfanylmethyl)cyclohexyl]methanethiol.
What is the SMILES notation for [1-(oxolan-2-ylmethylsulfanylmethyl)cyclohexyl]methanethiol?
The canonical SMILES for [1-(oxolan-2-ylmethylsulfanylmethyl)cyclohexyl]methanethiol is SCC1(CSCC2CCCO2)CCCCC1.
What is the InChIKey of [1-(oxolan-2-ylmethylsulfanylmethyl)cyclohexyl]methanethiol?
The InChIKey is YTJUPMKDPYKYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24OS2/c15-10-13(6-2-1-3-7-13)11-16-9-12-5-4-8-14-12/h12,15H,1-11H2.
What are the key properties of [1-(oxolan-2-ylmethylsulfanylmethyl)cyclohexyl]methanethiol?
[1-(oxolan-2-ylmethylsulfanylmethyl)cyclohexyl]methanethiol has a molecular weight of 260.47 g/mol, XLogP of 3.78, 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)cyclohexyl]methanethiol is sourced from PubChem (CID 106497634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).