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

C12H22OS2 — CID 107766408

IUPAC[1-[(2-methyloxolan-3-yl)sulfanylmethyl]cyclopentyl]methanethiol
SMILESCC1OCCC1SCC1(CS)CCCC1
InChIInChI=1S/C12H22OS2/c1-10-11(4-7-13-10)15-9-12(8-14)5-2-3-6-12/h10-11,14H,2-9H2,1H3
InChIKeyDAPNRABQPIGOPI-UHFFFAOYSA-N
MW246.44 g/mol
LogP3.39
Rot. Bonds4

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

[1-[(2-methyloxolan-3-yl)sulfanylmethyl]cyclopentyl]methanethiol (PubChem CID 107766408) has the molecular formula C12H22OS2 and a molecular weight of 246.44 g/mol. Its IUPAC name is [1-[(2-methyloxolan-3-yl)sulfanylmethyl]cyclopentyl]methanethiol.

Molecular Properties

Compound Name[1-[(2-methyloxolan-3-yl)sulfanylmethyl]cyclopentyl]methanethiol
PubChem CID107766408
Molecular FormulaC12H22OS2
Molecular Weight246.44 g/mol
Exact Mass246.11
IUPAC Name[1-[(2-methyloxolan-3-yl)sulfanylmethyl]cyclopentyl]methanethiol
SMILESCC1OCCC1SCC1(CS)CCCC1
InChIInChI=1S/C12H22OS2/c1-10-11(4-7-13-10)15-9-12(8-14)5-2-3-6-12/h10-11,14H,2-9H2,1H3
InChIKeyDAPNRABQPIGOPI-UHFFFAOYSA-N
XLogP3.39
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

2-Methyl-2-(2-methylcyclopentyl)sulfanyloxolane
CID 20442799
(2R)-2-ethyl-5-ethylsulfanyl-3,3-dimethyloxolane
CID 89397464
[1-(Oxan-4-ylsulfanylmethyl)cyclopentyl]methanethiol
CID 80033617
3,3-Dimethyl-2-(oxolan-2-ylmethylsulfanylmethyl)butane-1-thiol
CID 106497614
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)cyclobutyl]methanethiol
CID 106497646
3-[[1-(Bromomethyl)cyclopentyl]methylsulfanyl]-2-methyloxolane
CID 107746838
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
2-[(2-Methyloxolan-3-yl)sulfanylmethyl]-2-propylpentane-1-thiol
CID 107766419

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methyloxolan-3-yl)sulfanylmethyl]cyclopentyl]methanethiol?
The IUPAC name of [1-[(2-methyloxolan-3-yl)sulfanylmethyl]cyclopentyl]methanethiol (CID 107766408) is [1-[(2-methyloxolan-3-yl)sulfanylmethyl]cyclopentyl]methanethiol.
What is the SMILES notation for [1-[(2-methyloxolan-3-yl)sulfanylmethyl]cyclopentyl]methanethiol?
The canonical SMILES for [1-[(2-methyloxolan-3-yl)sulfanylmethyl]cyclopentyl]methanethiol is CC1OCCC1SCC1(CS)CCCC1.
What is the InChIKey of [1-[(2-methyloxolan-3-yl)sulfanylmethyl]cyclopentyl]methanethiol?
The InChIKey is DAPNRABQPIGOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22OS2/c1-10-11(4-7-13-10)15-9-12(8-14)5-2-3-6-12/h10-11,14H,2-9H2,1H3.
What are the key properties of [1-[(2-methyloxolan-3-yl)sulfanylmethyl]cyclopentyl]methanethiol?
[1-[(2-methyloxolan-3-yl)sulfanylmethyl]cyclopentyl]methanethiol has a molecular weight of 246.44 g/mol, XLogP of 3.39, 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]cyclopentyl]methanethiol is sourced from PubChem (CID 107766408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).