cyclopenta-2,4-diene-1-thiol

C5H6S — CID 11986733

IUPACcyclopenta-2,4-diene-1-thiol
SMILESSC1C=CC=C1
InChIInChI=1S/C5H6S/c6-5-3-1-2-4-5/h1-6H
InChIKeyGVZTVOJLOGFKHQ-UHFFFAOYSA-N
MW98.17 g/mol
LogP1.41
Rot. Bonds

About cyclopenta-2,4-diene-1-thiol

cyclopenta-2,4-diene-1-thiol (PubChem CID 11986733) has the molecular formula C5H6S and a molecular weight of 98.17 g/mol. Its IUPAC name is cyclopenta-2,4-diene-1-thiol.

Molecular Properties

Compound Namecyclopenta-2,4-diene-1-thiol
PubChem CID11986733
Molecular FormulaC5H6S
Molecular Weight98.17 g/mol
Exact Mass98.02
IUPAC Namecyclopenta-2,4-diene-1-thiol
SMILESSC1C=CC=C1
InChIInChI=1S/C5H6S/c6-5-3-1-2-4-5/h1-6H
InChIKeyGVZTVOJLOGFKHQ-UHFFFAOYSA-N
XLogP1.41
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.17
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 cyclopenta-2,4-diene-1-thiol?
The IUPAC name of cyclopenta-2,4-diene-1-thiol (CID 11986733) is cyclopenta-2,4-diene-1-thiol.
What is the SMILES notation for cyclopenta-2,4-diene-1-thiol?
The canonical SMILES for cyclopenta-2,4-diene-1-thiol is SC1C=CC=C1.
What is the InChIKey of cyclopenta-2,4-diene-1-thiol?
The InChIKey is GVZTVOJLOGFKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6S/c6-5-3-1-2-4-5/h1-6H.
What are the key properties of cyclopenta-2,4-diene-1-thiol?
cyclopenta-2,4-diene-1-thiol has a molecular weight of 98.17 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-diene-1-thiol is sourced from PubChem (CID 11986733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).