cyclopentane-1,3-dithiol

C5H10S2 — CID 87063724

IUPACcyclopentane-1,3-dithiol
SMILESSC1CCC(S)C1
InChIInChI=1S/C5H10S2/c6-4-1-2-5(7)3-4/h4-7H,1-3H2
InChIKeyCQPPUPSVCDHKKX-UHFFFAOYSA-N
MW134.27 g/mol
LogP1.77
Rot. Bonds

About cyclopentane-1,3-dithiol

cyclopentane-1,3-dithiol (PubChem CID 87063724) has the molecular formula C5H10S2 and a molecular weight of 134.27 g/mol. Its IUPAC name is cyclopentane-1,3-dithiol.

Molecular Properties

Compound Namecyclopentane-1,3-dithiol
PubChem CID87063724
Molecular FormulaC5H10S2
Molecular Weight134.27 g/mol
Exact Mass134.02
IUPAC Namecyclopentane-1,3-dithiol
SMILESSC1CCC(S)C1
InChIInChI=1S/C5H10S2/c6-4-1-2-5(7)3-4/h4-7H,1-3H2
InChIKeyCQPPUPSVCDHKKX-UHFFFAOYSA-N
XLogP1.77
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.27
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cyclopentanethiol
CID 15510
1,2-Dimercaptocyclopentane
CID 12371414
trans-(1R,2R)-cyclopentane-1,2-dithiol
CID 12371415
Disulfanylcyclopentane
CID 19832725
Cyclopentanethiol;tris(yttrium)
CID 59743201
(Methyldisulfanyl)cyclopentane
CID 87128146
(Ethyldisulfanyl)cyclopentane
CID 87128367
Copper;cyclopentanethiol
CID 88391040
cis-(1R,3S)-cyclopentane-1,3-dithiol
CID 130279587
Cyclopentane-1,1,2-trithiol
CID 141308098
Cyclopentane-1,2,4-trithiol
CID 141308995
Trisulfanylcyclopentane
CID 141499006

Frequently Asked Questions

What is the IUPAC name of cyclopentane-1,3-dithiol?
The IUPAC name of cyclopentane-1,3-dithiol (CID 87063724) is cyclopentane-1,3-dithiol.
What is the SMILES notation for cyclopentane-1,3-dithiol?
The canonical SMILES for cyclopentane-1,3-dithiol is SC1CCC(S)C1.
What is the InChIKey of cyclopentane-1,3-dithiol?
The InChIKey is CQPPUPSVCDHKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S2/c6-4-1-2-5(7)3-4/h4-7H,1-3H2.
What are the key properties of cyclopentane-1,3-dithiol?
cyclopentane-1,3-dithiol has a molecular weight of 134.27 g/mol, XLogP of 1.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane-1,3-dithiol is sourced from PubChem (CID 87063724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).