4-cyclopenta-2,4-dien-1-ylidenethiane

C10H12S — CID 12926918

IUPAC4-cyclopenta-2,4-dien-1-ylidenethiane
SMILESC1=CC(=C2CCSCC2)C=C1
InChIInChI=1S/C10H12S/c1-2-4-9(3-1)10-5-7-11-8-6-10/h1-4H,5-8H2
InChIKeyKWWZNPXPEPYKML-UHFFFAOYSA-N
MW164.27 g/mol
LogP2.94
Rot. Bonds

About 4-cyclopenta-2,4-dien-1-ylidenethiane

4-cyclopenta-2,4-dien-1-ylidenethiane (PubChem CID 12926918) has the molecular formula C10H12S and a molecular weight of 164.27 g/mol. Its IUPAC name is 4-cyclopenta-2,4-dien-1-ylidenethiane.

Molecular Properties

Compound Name4-cyclopenta-2,4-dien-1-ylidenethiane
PubChem CID12926918
Molecular FormulaC10H12S
Molecular Weight164.27 g/mol
Exact Mass164.07
IUPAC Name4-cyclopenta-2,4-dien-1-ylidenethiane
SMILESC1=CC(=C2CCSCC2)C=C1
InChIInChI=1S/C10H12S/c1-2-4-9(3-1)10-5-7-11-8-6-10/h1-4H,5-8H2
InChIKeyKWWZNPXPEPYKML-UHFFFAOYSA-N
XLogP2.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopenta-2,4-dien-1-ylidenethiane?
The IUPAC name of 4-cyclopenta-2,4-dien-1-ylidenethiane (CID 12926918) is 4-cyclopenta-2,4-dien-1-ylidenethiane.
What is the SMILES notation for 4-cyclopenta-2,4-dien-1-ylidenethiane?
The canonical SMILES for 4-cyclopenta-2,4-dien-1-ylidenethiane is C1=CC(=C2CCSCC2)C=C1.
What is the InChIKey of 4-cyclopenta-2,4-dien-1-ylidenethiane?
The InChIKey is KWWZNPXPEPYKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12S/c1-2-4-9(3-1)10-5-7-11-8-6-10/h1-4H,5-8H2.
What are the key properties of 4-cyclopenta-2,4-dien-1-ylidenethiane?
4-cyclopenta-2,4-dien-1-ylidenethiane has a molecular weight of 164.27 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopenta-2,4-dien-1-ylidenethiane is sourced from PubChem (CID 12926918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).