methylsulfanylmethylsulfanylcyclopentane

C7H14S2 — CID 126997414

IUPACmethylsulfanylmethylsulfanylcyclopentane
SMILESCSCSC1CCCC1
InChIInChI=1S/C7H14S2/c1-8-6-9-7-4-2-3-5-7/h7H,2-6H2,1H3
InChIKeyVMXXZKFPXSZRCM-UHFFFAOYSA-N
MW162.32 g/mol
LogP2.98
Rot. Bonds3

About methylsulfanylmethylsulfanylcyclopentane

methylsulfanylmethylsulfanylcyclopentane (PubChem CID 126997414) has the molecular formula C7H14S2 and a molecular weight of 162.32 g/mol. Its IUPAC name is methylsulfanylmethylsulfanylcyclopentane.

Molecular Properties

Compound Namemethylsulfanylmethylsulfanylcyclopentane
PubChem CID126997414
Molecular FormulaC7H14S2
Molecular Weight162.32 g/mol
Exact Mass162.05
IUPAC Namemethylsulfanylmethylsulfanylcyclopentane
SMILESCSCSC1CCCC1
InChIInChI=1S/C7H14S2/c1-8-6-9-7-4-2-3-5-7/h7H,2-6H2,1H3
InChIKeyVMXXZKFPXSZRCM-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.32
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethylsulfanylcycloheptane
CID 67666697
ethylsulfanylcyclohexane;hydrate
CID 154657680
propylsulfanylcyclopentane
CID 534899
cyclohexylsulfanylmethanamine
CID 18729999
2-cyclopentylsulfanyl-1-(3,5-dimethylcyclohexyl)ethanol
CID 65139084
butylsulfanylcycloheptane
CID 14970942
2-cyclopentylsulfanylethanamine
CID 23401603
1-cyclohexylsulfanylpropane-2-thiol
CID 57273341
hexylsulfanylcyclopentane
CID 534970
2-cyclohexylsulfanyl-N-methylethanamine
CID 46741497
2-cyclohexylsulfanylethanethiol
CID 12594005
2,2,2-trifluoroethylsulfanylcyclopentane
CID 130682708

Frequently Asked Questions

What is the IUPAC name of methylsulfanylmethylsulfanylcyclopentane?
The IUPAC name of methylsulfanylmethylsulfanylcyclopentane (CID 126997414) is methylsulfanylmethylsulfanylcyclopentane.
What is the SMILES notation for methylsulfanylmethylsulfanylcyclopentane?
The canonical SMILES for methylsulfanylmethylsulfanylcyclopentane is CSCSC1CCCC1.
What is the InChIKey of methylsulfanylmethylsulfanylcyclopentane?
The InChIKey is VMXXZKFPXSZRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14S2/c1-8-6-9-7-4-2-3-5-7/h7H,2-6H2,1H3.
What are the key properties of methylsulfanylmethylsulfanylcyclopentane?
methylsulfanylmethylsulfanylcyclopentane has a molecular weight of 162.32 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanylmethylsulfanylcyclopentane is sourced from PubChem (CID 126997414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).