5-cyclopenta-2,4-dien-1-ylsulfanylsulfinylsulfanylcyclopenta-1,3-diene

C10H10OS3 — CID 100937993

IUPAC5-cyclopenta-2,4-dien-1-ylsulfanylsulfinylsulfanylcyclopenta-1,3-diene
SMILESO=S(SC1C=CC=C1)SC1C=CC=C1
InChIInChI=1S/C10H10OS3/c11-14(12-9-5-1-2-6-9)13-10-7-3-4-8-10/h1-10H
InChIKeyYZYHCBBBEBBPHC-UHFFFAOYSA-N
MW242.39 g/mol
LogP3.02
Rot. Bonds4

About 5-cyclopenta-2,4-dien-1-ylsulfanylsulfinylsulfanylcyclopenta-1,3-diene

5-cyclopenta-2,4-dien-1-ylsulfanylsulfinylsulfanylcyclopenta-1,3-diene (PubChem CID 100937993) has the molecular formula C10H10OS3 and a molecular weight of 242.39 g/mol. Its IUPAC name is 5-cyclopenta-2,4-dien-1-ylsulfanylsulfinylsulfanylcyclopenta-1,3-diene.

Molecular Properties

Compound Name5-cyclopenta-2,4-dien-1-ylsulfanylsulfinylsulfanylcyclopenta-1,3-diene
PubChem CID100937993
Molecular FormulaC10H10OS3
Molecular Weight242.39 g/mol
Exact Mass241.99
IUPAC Name5-cyclopenta-2,4-dien-1-ylsulfanylsulfinylsulfanylcyclopenta-1,3-diene
SMILESO=S(SC1C=CC=C1)SC1C=CC=C1
InChIInChI=1S/C10H10OS3/c11-14(12-9-5-1-2-6-9)13-10-7-3-4-8-10/h1-10H
InChIKeyYZYHCBBBEBBPHC-UHFFFAOYSA-N
XLogP3.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-sulfonylcyclohexa-2,4-dien-1-amine
CID 87974308
7-(4-methylphenyl)sulfanylcyclohepta-1,3,5-triene
CID 86020256
5-propan-2-ylsulfinylcyclopenta-1,3-diene
CID 102212242
6-sulfonylcyclohexa-2,4-diene-1-carboxylic acid
CID 87282734
5-methoxy-6-sulfonylcyclohexa-1,3-diene
CID 54181841
2-(cyclopenta-2,4-dien-1-yldisulfanyl)cyclopenta-1,3-diene
CID 11985273
cyclopenta-2,4-dien-1-ylsulfanylmethyl 2,2,2-trifluoroacetate
CID 101020005
cyclopenta-1,4-dien-1-ylsulfanyl-tris(cyclopenta-2,4-dien-1-ylsulfanyl)stannane
CID 135556115
2-(1,2-dihydropyridin-2-yldisulfanyl)-1,2-dihydropyridine
CID 11608273
methyl 6-hydroxycyclohexa-2,4-diene-1-sulfinate
CID 166697784
2-[(5-chlorosulfonylcyclopenta-1,3-dien-1-yl)disulfanyl]cyclopenta-2,4-diene-1-sulfonyl chloride
CID 102373613
6-oxocyclohexa-2,4-diene-1-sulfonic acid;trihydrate
CID 141191996

Frequently Asked Questions

What is the IUPAC name of 5-cyclopenta-2,4-dien-1-ylsulfanylsulfinylsulfanylcyclopenta-1,3-diene?
The IUPAC name of 5-cyclopenta-2,4-dien-1-ylsulfanylsulfinylsulfanylcyclopenta-1,3-diene (CID 100937993) is 5-cyclopenta-2,4-dien-1-ylsulfanylsulfinylsulfanylcyclopenta-1,3-diene.
What is the SMILES notation for 5-cyclopenta-2,4-dien-1-ylsulfanylsulfinylsulfanylcyclopenta-1,3-diene?
The canonical SMILES for 5-cyclopenta-2,4-dien-1-ylsulfanylsulfinylsulfanylcyclopenta-1,3-diene is O=S(SC1C=CC=C1)SC1C=CC=C1.
What is the InChIKey of 5-cyclopenta-2,4-dien-1-ylsulfanylsulfinylsulfanylcyclopenta-1,3-diene?
The InChIKey is YZYHCBBBEBBPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS3/c11-14(12-9-5-1-2-6-9)13-10-7-3-4-8-10/h1-10H.
What are the key properties of 5-cyclopenta-2,4-dien-1-ylsulfanylsulfinylsulfanylcyclopenta-1,3-diene?
5-cyclopenta-2,4-dien-1-ylsulfanylsulfinylsulfanylcyclopenta-1,3-diene has a molecular weight of 242.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopenta-2,4-dien-1-ylsulfanylsulfinylsulfanylcyclopenta-1,3-diene is sourced from PubChem (CID 100937993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).