[1-[(2-methyloxolan-3-yl)sulfanylmethyl]cyclohexyl]methanethiol

C13H24OS2 — CID 107766426

IUPAC[1-[(2-methyloxolan-3-yl)sulfanylmethyl]cyclohexyl]methanethiol
SMILESCC1OCCC1SCC1(CS)CCCCC1
InChIInChI=1S/C13H24OS2/c1-11-12(5-8-14-11)16-10-13(9-15)6-3-2-4-7-13/h11-12,15H,2-10H2,1H3
InChIKeySKENIANMEFWHQA-UHFFFAOYSA-N
MW260.47 g/mol
LogP3.78
Rot. Bonds4

About [1-[(2-methyloxolan-3-yl)sulfanylmethyl]cyclohexyl]methanethiol

[1-[(2-methyloxolan-3-yl)sulfanylmethyl]cyclohexyl]methanethiol (PubChem CID 107766426) has the molecular formula C13H24OS2 and a molecular weight of 260.47 g/mol. Its IUPAC name is [1-[(2-methyloxolan-3-yl)sulfanylmethyl]cyclohexyl]methanethiol.

Molecular Properties

Compound Name[1-[(2-methyloxolan-3-yl)sulfanylmethyl]cyclohexyl]methanethiol
PubChem CID107766426
Molecular FormulaC13H24OS2
Molecular Weight260.47 g/mol
Exact Mass260.13
IUPAC Name[1-[(2-methyloxolan-3-yl)sulfanylmethyl]cyclohexyl]methanethiol
SMILESCC1OCCC1SCC1(CS)CCCCC1
InChIInChI=1S/C13H24OS2/c1-11-12(5-8-14-11)16-10-13(9-15)6-3-2-4-7-13/h11-12,15H,2-10H2,1H3
InChIKeySKENIANMEFWHQA-UHFFFAOYSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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'}

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Related Compounds

(2R)-2-ethyl-5-ethylsulfanyl-3,3-dimethyloxolane
CID 89397464
8,8-Dimethyl-1-oxa-4-thiaspiro[4.5]decane
CID 150171275
[1-(Oxan-4-ylsulfanylmethyl)cyclohexyl]methanethiol
CID 80032485
2-(Oxan-4-ylsulfanylmethyl)-2-propylpentane-1-thiol
CID 80032674
[1-(3-Methoxypropylsulfanylmethyl)cyclohexyl]methanethiol
CID 80039497
[1-(2-Methoxyethylsulfanylmethyl)cyclohexyl]methanethiol
CID 80039540
2-Ethyl-2-(oxolan-2-ylmethylsulfanylmethyl)butane-1-thiol
CID 106497620
[1-(Oxolan-2-ylmethylsulfanylmethyl)cyclopentyl]methanethiol
CID 106497627
[1-(Oxolan-2-ylmethylsulfanylmethyl)cyclohexyl]methanethiol
CID 106497634
[1-(Oxolan-2-ylmethylsulfanylmethyl)cycloheptyl]methanethiol
CID 106497635
3-[[1-(Bromomethyl)cyclohexyl]methylsulfanyl]-2-methyloxolane
CID 107746827
2-Ethyl-2-[(2-methyloxolan-3-yl)sulfanylmethyl]butane-1-thiol
CID 107766396

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methyloxolan-3-yl)sulfanylmethyl]cyclohexyl]methanethiol?
The IUPAC name of [1-[(2-methyloxolan-3-yl)sulfanylmethyl]cyclohexyl]methanethiol (CID 107766426) is [1-[(2-methyloxolan-3-yl)sulfanylmethyl]cyclohexyl]methanethiol.
What is the SMILES notation for [1-[(2-methyloxolan-3-yl)sulfanylmethyl]cyclohexyl]methanethiol?
The canonical SMILES for [1-[(2-methyloxolan-3-yl)sulfanylmethyl]cyclohexyl]methanethiol is CC1OCCC1SCC1(CS)CCCCC1.
What is the InChIKey of [1-[(2-methyloxolan-3-yl)sulfanylmethyl]cyclohexyl]methanethiol?
The InChIKey is SKENIANMEFWHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24OS2/c1-11-12(5-8-14-11)16-10-13(9-15)6-3-2-4-7-13/h11-12,15H,2-10H2,1H3.
What are the key properties of [1-[(2-methyloxolan-3-yl)sulfanylmethyl]cyclohexyl]methanethiol?
[1-[(2-methyloxolan-3-yl)sulfanylmethyl]cyclohexyl]methanethiol has a molecular weight of 260.47 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methyloxolan-3-yl)sulfanylmethyl]cyclohexyl]methanethiol is sourced from PubChem (CID 107766426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).