cyclopenta-1,4-dien-1-ylsulfanyl-tris(cyclopenta-2,4-dien-1-ylsulfanyl)stannane

C20H20S4Sn — CID 135556115

IUPACcyclopenta-1,4-dien-1-ylsulfanyl-tris(cyclopenta-2,4-dien-1-ylsulfanyl)stannane
SMILESC1=CC(S[Sn](SC2=CCC=C2)(SC2C=CC=C2)SC2C=CC=C2)C=C1
InChIInChI=1S/4C5H6S.Sn/c4*6-5-3-1-2-4-5;/h1,3-4,6H,2H2;3*1-6H;/q;;;;+4/p-4
InChIKeyZOYRRYZBKNIWIW-UHFFFAOYSA-J
MW507.36 g/mol
LogP6.68
Rot. Bonds8

About cyclopenta-1,4-dien-1-ylsulfanyl-tris(cyclopenta-2,4-dien-1-ylsulfanyl)stannane

cyclopenta-1,4-dien-1-ylsulfanyl-tris(cyclopenta-2,4-dien-1-ylsulfanyl)stannane (PubChem CID 135556115) has the molecular formula C20H20S4Sn and a molecular weight of 507.36 g/mol. Its IUPAC name is cyclopenta-1,4-dien-1-ylsulfanyl-tris(cyclopenta-2,4-dien-1-ylsulfanyl)stannane.

Molecular Properties

Compound Namecyclopenta-1,4-dien-1-ylsulfanyl-tris(cyclopenta-2,4-dien-1-ylsulfanyl)stannane
PubChem CID135556115
Molecular FormulaC20H20S4Sn
Molecular Weight507.36 g/mol
Exact Mass507.95
IUPAC Namecyclopenta-1,4-dien-1-ylsulfanyl-tris(cyclopenta-2,4-dien-1-ylsulfanyl)stannane
SMILESC1=CC(S[Sn](SC2=CCC=C2)(SC2C=CC=C2)SC2C=CC=C2)C=C1
InChIInChI=1S/4C5H6S.Sn/c4*6-5-3-1-2-4-5;/h1,3-4,6H,2H2;3*1-6H;/q;;;;+4/p-4
InChIKeyZOYRRYZBKNIWIW-UHFFFAOYSA-J
XLogP6.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.36
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,4-dien-1-ylsulfanyl-tris(cyclopenta-2,4-dien-1-ylsulfanyl)stannane?
The IUPAC name of cyclopenta-1,4-dien-1-ylsulfanyl-tris(cyclopenta-2,4-dien-1-ylsulfanyl)stannane (CID 135556115) is cyclopenta-1,4-dien-1-ylsulfanyl-tris(cyclopenta-2,4-dien-1-ylsulfanyl)stannane.
What is the SMILES notation for cyclopenta-1,4-dien-1-ylsulfanyl-tris(cyclopenta-2,4-dien-1-ylsulfanyl)stannane?
The canonical SMILES for cyclopenta-1,4-dien-1-ylsulfanyl-tris(cyclopenta-2,4-dien-1-ylsulfanyl)stannane is C1=CC(S[Sn](SC2=CCC=C2)(SC2C=CC=C2)SC2C=CC=C2)C=C1.
What is the InChIKey of cyclopenta-1,4-dien-1-ylsulfanyl-tris(cyclopenta-2,4-dien-1-ylsulfanyl)stannane?
The InChIKey is ZOYRRYZBKNIWIW-UHFFFAOYSA-J. The full InChI is InChI=1S/4C5H6S.Sn/c4*6-5-3-1-2-4-5;/h1,3-4,6H,2H2;3*1-6H;/q;;;;+4/p-4.
What are the key properties of cyclopenta-1,4-dien-1-ylsulfanyl-tris(cyclopenta-2,4-dien-1-ylsulfanyl)stannane?
cyclopenta-1,4-dien-1-ylsulfanyl-tris(cyclopenta-2,4-dien-1-ylsulfanyl)stannane has a molecular weight of 507.36 g/mol, XLogP of 6.68, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,4-dien-1-ylsulfanyl-tris(cyclopenta-2,4-dien-1-ylsulfanyl)stannane is sourced from PubChem (CID 135556115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).