2-ethenyl-3-ethylsulfanyl-4H-cyclopenta[b]thiophene

C11H12S2 — CID 167031628

IUPAC2-ethenyl-3-ethylsulfanyl-4H-cyclopenta[b]thiophene
SMILESC=Cc1sc2c(c1SCC)CC=C2
InChIInChI=1S/C11H12S2/c1-3-9-11(12-4-2)8-6-5-7-10(8)13-9/h3,5,7H,1,4,6H2,2H3
InChIKeyUWAXJZSUNADJBJ-UHFFFAOYSA-N
MW208.35 g/mol
LogP4.07
Rot. Bonds3

About 2-ethenyl-3-ethylsulfanyl-4H-cyclopenta[b]thiophene

2-ethenyl-3-ethylsulfanyl-4H-cyclopenta[b]thiophene (PubChem CID 167031628) has the molecular formula C11H12S2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2-ethenyl-3-ethylsulfanyl-4H-cyclopenta[b]thiophene.

Molecular Properties

Compound Name2-ethenyl-3-ethylsulfanyl-4H-cyclopenta[b]thiophene
PubChem CID167031628
Molecular FormulaC11H12S2
Molecular Weight208.35 g/mol
Exact Mass208.04
IUPAC Name2-ethenyl-3-ethylsulfanyl-4H-cyclopenta[b]thiophene
SMILESC=Cc1sc2c(c1SCC)CC=C2
InChIInChI=1S/C11H12S2/c1-3-9-11(12-4-2)8-6-5-7-10(8)13-9/h3,5,7H,1,4,6H2,2H3
InChIKeyUWAXJZSUNADJBJ-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-ethylsulfanyl-4H-cyclopenta[b]thiophene?
The IUPAC name of 2-ethenyl-3-ethylsulfanyl-4H-cyclopenta[b]thiophene (CID 167031628) is 2-ethenyl-3-ethylsulfanyl-4H-cyclopenta[b]thiophene.
What is the SMILES notation for 2-ethenyl-3-ethylsulfanyl-4H-cyclopenta[b]thiophene?
The canonical SMILES for 2-ethenyl-3-ethylsulfanyl-4H-cyclopenta[b]thiophene is C=Cc1sc2c(c1SCC)CC=C2.
What is the InChIKey of 2-ethenyl-3-ethylsulfanyl-4H-cyclopenta[b]thiophene?
The InChIKey is UWAXJZSUNADJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12S2/c1-3-9-11(12-4-2)8-6-5-7-10(8)13-9/h3,5,7H,1,4,6H2,2H3.
What are the key properties of 2-ethenyl-3-ethylsulfanyl-4H-cyclopenta[b]thiophene?
2-ethenyl-3-ethylsulfanyl-4H-cyclopenta[b]thiophene has a molecular weight of 208.35 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-ethylsulfanyl-4H-cyclopenta[b]thiophene is sourced from PubChem (CID 167031628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).