cyclopentene-1,2-dithiol

C5H8S2 — CID 15897860

IUPACcyclopentene-1,2-dithiol
SMILESSC1=C(S)CCC1
InChIInChI=1S/C5H8S2/c6-4-2-1-3-5(4)7/h6-7H,1-3H2
InChIKeyALVFCPMBEQMVID-UHFFFAOYSA-N
MW132.25 g/mol
LogP2.24
Rot. Bonds

About cyclopentene-1,2-dithiol

cyclopentene-1,2-dithiol (PubChem CID 15897860) has the molecular formula C5H8S2 and a molecular weight of 132.25 g/mol. Its IUPAC name is cyclopentene-1,2-dithiol.

Molecular Properties

Compound Namecyclopentene-1,2-dithiol
PubChem CID15897860
Molecular FormulaC5H8S2
Molecular Weight132.25 g/mol
Exact Mass132.01
IUPAC Namecyclopentene-1,2-dithiol
SMILESSC1=C(S)CCC1
InChIInChI=1S/C5H8S2/c6-4-2-1-3-5(4)7/h6-7H,1-3H2
InChIKeyALVFCPMBEQMVID-UHFFFAOYSA-N
XLogP2.24
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.25
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopentene-1,2-dithiol?
The IUPAC name of cyclopentene-1,2-dithiol (CID 15897860) is cyclopentene-1,2-dithiol.
What is the SMILES notation for cyclopentene-1,2-dithiol?
The canonical SMILES for cyclopentene-1,2-dithiol is SC1=C(S)CCC1.
What is the InChIKey of cyclopentene-1,2-dithiol?
The InChIKey is ALVFCPMBEQMVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8S2/c6-4-2-1-3-5(4)7/h6-7H,1-3H2.
What are the key properties of cyclopentene-1,2-dithiol?
cyclopentene-1,2-dithiol has a molecular weight of 132.25 g/mol, XLogP of 2.24, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentene-1,2-dithiol is sourced from PubChem (CID 15897860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).