di(cyclopenta-2,4-dien-1-yl)methanethione

C11H10S — CID 15807229

IUPACdi(cyclopenta-2,4-dien-1-yl)methanethione
SMILESS=C(C1C=CC=C1)C1C=CC=C1
InChIInChI=1S/C11H10S/c12-11(9-5-1-2-6-9)10-7-3-4-8-10/h1-10H
InChIKeyQRNSTDHLWUPAJB-UHFFFAOYSA-N
MW174.27 g/mol
LogP2.84
Rot. Bonds2

About di(cyclopenta-2,4-dien-1-yl)methanethione

di(cyclopenta-2,4-dien-1-yl)methanethione (PubChem CID 15807229) has the molecular formula C11H10S and a molecular weight of 174.27 g/mol. Its IUPAC name is di(cyclopenta-2,4-dien-1-yl)methanethione.

Molecular Properties

Compound Namedi(cyclopenta-2,4-dien-1-yl)methanethione
PubChem CID15807229
Molecular FormulaC11H10S
Molecular Weight174.27 g/mol
Exact Mass174.05
IUPAC Namedi(cyclopenta-2,4-dien-1-yl)methanethione
SMILESS=C(C1C=CC=C1)C1C=CC=C1
InChIInChI=1S/C11H10S/c12-11(9-5-1-2-6-9)10-7-3-4-8-10/h1-10H
InChIKeyQRNSTDHLWUPAJB-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of di(cyclopenta-2,4-dien-1-yl)methanethione?
The IUPAC name of di(cyclopenta-2,4-dien-1-yl)methanethione (CID 15807229) is di(cyclopenta-2,4-dien-1-yl)methanethione.
What is the SMILES notation for di(cyclopenta-2,4-dien-1-yl)methanethione?
The canonical SMILES for di(cyclopenta-2,4-dien-1-yl)methanethione is S=C(C1C=CC=C1)C1C=CC=C1.
What is the InChIKey of di(cyclopenta-2,4-dien-1-yl)methanethione?
The InChIKey is QRNSTDHLWUPAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10S/c12-11(9-5-1-2-6-9)10-7-3-4-8-10/h1-10H.
What are the key properties of di(cyclopenta-2,4-dien-1-yl)methanethione?
di(cyclopenta-2,4-dien-1-yl)methanethione has a molecular weight of 174.27 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for di(cyclopenta-2,4-dien-1-yl)methanethione is sourced from PubChem (CID 15807229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).