5-[bis(ethylsulfanyl)methylidene]cyclopenta-1,3-diene

C10H14S2 — CID 14225165

IUPAC5-[bis(ethylsulfanyl)methylidene]cyclopenta-1,3-diene
SMILESCCSC(SCC)=C1C=CC=C1
InChIInChI=1S/C10H14S2/c1-3-11-10(12-4-2)9-7-5-6-8-9/h5-8H,3-4H2,1-2H3
InChIKeyFEOXIKBEJNZOAL-UHFFFAOYSA-N
MW198.36 g/mol
LogP3.83
Rot. Bonds4

About 5-[bis(ethylsulfanyl)methylidene]cyclopenta-1,3-diene

5-[bis(ethylsulfanyl)methylidene]cyclopenta-1,3-diene (PubChem CID 14225165) has the molecular formula C10H14S2 and a molecular weight of 198.36 g/mol. Its IUPAC name is 5-[bis(ethylsulfanyl)methylidene]cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-[bis(ethylsulfanyl)methylidene]cyclopenta-1,3-diene
PubChem CID14225165
Molecular FormulaC10H14S2
Molecular Weight198.36 g/mol
Exact Mass198.05
IUPAC Name5-[bis(ethylsulfanyl)methylidene]cyclopenta-1,3-diene
SMILESCCSC(SCC)=C1C=CC=C1
InChIInChI=1S/C10H14S2/c1-3-11-10(12-4-2)9-7-5-6-8-9/h5-8H,3-4H2,1-2H3
InChIKeyFEOXIKBEJNZOAL-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.36
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[bis(ethylsulfanyl)methylidene]cyclopenta-1,3-diene?
The IUPAC name of 5-[bis(ethylsulfanyl)methylidene]cyclopenta-1,3-diene (CID 14225165) is 5-[bis(ethylsulfanyl)methylidene]cyclopenta-1,3-diene.
What is the SMILES notation for 5-[bis(ethylsulfanyl)methylidene]cyclopenta-1,3-diene?
The canonical SMILES for 5-[bis(ethylsulfanyl)methylidene]cyclopenta-1,3-diene is CCSC(SCC)=C1C=CC=C1.
What is the InChIKey of 5-[bis(ethylsulfanyl)methylidene]cyclopenta-1,3-diene?
The InChIKey is FEOXIKBEJNZOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14S2/c1-3-11-10(12-4-2)9-7-5-6-8-9/h5-8H,3-4H2,1-2H3.
What are the key properties of 5-[bis(ethylsulfanyl)methylidene]cyclopenta-1,3-diene?
5-[bis(ethylsulfanyl)methylidene]cyclopenta-1,3-diene has a molecular weight of 198.36 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(ethylsulfanyl)methylidene]cyclopenta-1,3-diene is sourced from PubChem (CID 14225165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).