1,4-bis(ethylsulfanyl)cyclopenta-1,3-diene

C9H14S2 — CID 59148640

IUPAC1,4-bis(ethylsulfanyl)cyclopenta-1,3-diene
SMILESCCSC1=CC=C(SCC)C1
InChIInChI=1S/C9H14S2/c1-3-10-8-5-6-9(7-8)11-4-2/h5-6H,3-4,7H2,1-2H3
InChIKeySEDHRUYGFKTUHC-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.66
Rot. Bonds4

About 1,4-bis(ethylsulfanyl)cyclopenta-1,3-diene

1,4-bis(ethylsulfanyl)cyclopenta-1,3-diene (PubChem CID 59148640) has the molecular formula C9H14S2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 1,4-bis(ethylsulfanyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1,4-bis(ethylsulfanyl)cyclopenta-1,3-diene
PubChem CID59148640
Molecular FormulaC9H14S2
Molecular Weight186.34 g/mol
Exact Mass186.05
IUPAC Name1,4-bis(ethylsulfanyl)cyclopenta-1,3-diene
SMILESCCSC1=CC=C(SCC)C1
InChIInChI=1S/C9H14S2/c1-3-10-8-5-6-9(7-8)11-4-2/h5-6H,3-4,7H2,1-2H3
InChIKeySEDHRUYGFKTUHC-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(ethylsulfanyl)cyclopenta-1,3-diene?
The IUPAC name of 1,4-bis(ethylsulfanyl)cyclopenta-1,3-diene (CID 59148640) is 1,4-bis(ethylsulfanyl)cyclopenta-1,3-diene.
What is the SMILES notation for 1,4-bis(ethylsulfanyl)cyclopenta-1,3-diene?
The canonical SMILES for 1,4-bis(ethylsulfanyl)cyclopenta-1,3-diene is CCSC1=CC=C(SCC)C1.
What is the InChIKey of 1,4-bis(ethylsulfanyl)cyclopenta-1,3-diene?
The InChIKey is SEDHRUYGFKTUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14S2/c1-3-10-8-5-6-9(7-8)11-4-2/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 1,4-bis(ethylsulfanyl)cyclopenta-1,3-diene?
1,4-bis(ethylsulfanyl)cyclopenta-1,3-diene has a molecular weight of 186.34 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(ethylsulfanyl)cyclopenta-1,3-diene is sourced from PubChem (CID 59148640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).