(ethyldisulfanyl)cyclopentane

C7H14S2 — CID 87128367

IUPAC(ethyldisulfanyl)cyclopentane
SMILESCCSSC1CCCC1
InChIInChI=1S/C7H14S2/c1-2-8-9-7-5-3-4-6-7/h7H,2-6H2,1H3
InChIKeyRYSHELBWWFBXOP-UHFFFAOYSA-N
MW162.32 g/mol
LogP3.33
Rot. Bonds3

About (ethyldisulfanyl)cyclopentane

(ethyldisulfanyl)cyclopentane (PubChem CID 87128367) has the molecular formula C7H14S2 and a molecular weight of 162.32 g/mol. Its IUPAC name is (ethyldisulfanyl)cyclopentane.

Molecular Properties

Compound Name(ethyldisulfanyl)cyclopentane
PubChem CID87128367
Molecular FormulaC7H14S2
Molecular Weight162.32 g/mol
Exact Mass162.05
IUPAC Name(ethyldisulfanyl)cyclopentane
SMILESCCSSC1CCCC1
InChIInChI=1S/C7H14S2/c1-2-8-9-7-5-3-4-6-7/h7H,2-6H2,1H3
InChIKeyRYSHELBWWFBXOP-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Amyl methyl disulfide
CID 522459
1-Pentanesulfenothioic acid
CID 21251947
1,2-Dimercaptocyclopentane
CID 12371414
1,2-Dithiolane, 3-propyl-
CID 155530
(3R)-3-propyldithiolane
CID 13039504
3-Ethyl-1,2-dithiolane
CID 18689485
Diathyltrithiolan
CID 129632532
Methyl pentyl trisulfide
CID 91751019
3,5-Dimethyldithiolane
CID 12397703
(3S,5R)-3,5-dimethyldithiolane
CID 10558670
(3S,5S)-3,5-dimethyldithiolane
CID 71444981
(Propyldisulfanyl)cyclopentane
CID 10171282

Frequently Asked Questions

What is the IUPAC name of (ethyldisulfanyl)cyclopentane?
The IUPAC name of (ethyldisulfanyl)cyclopentane (CID 87128367) is (ethyldisulfanyl)cyclopentane.
What is the SMILES notation for (ethyldisulfanyl)cyclopentane?
The canonical SMILES for (ethyldisulfanyl)cyclopentane is CCSSC1CCCC1.
What is the InChIKey of (ethyldisulfanyl)cyclopentane?
The InChIKey is RYSHELBWWFBXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14S2/c1-2-8-9-7-5-3-4-6-7/h7H,2-6H2,1H3.
What are the key properties of (ethyldisulfanyl)cyclopentane?
(ethyldisulfanyl)cyclopentane has a molecular weight of 162.32 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (ethyldisulfanyl)cyclopentane is sourced from PubChem (CID 87128367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).