1-ethylsulfanyl-2-methylcyclopentene

C8H14S — CID 123614943

IUPAC1-ethylsulfanyl-2-methylcyclopentene
SMILESCCSC1=C(C)CCC1
InChIInChI=1S/C8H14S/c1-3-9-8-6-4-5-7(8)2/h3-6H2,1-2H3
InChIKeyIOHFJEYWIREIHF-UHFFFAOYSA-N
MW142.27 g/mol
LogP3.20
Rot. Bonds2

About 1-ethylsulfanyl-2-methylcyclopentene

1-ethylsulfanyl-2-methylcyclopentene (PubChem CID 123614943) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 1-ethylsulfanyl-2-methylcyclopentene.

Molecular Properties

Compound Name1-ethylsulfanyl-2-methylcyclopentene
PubChem CID123614943
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name1-ethylsulfanyl-2-methylcyclopentene
SMILESCCSC1=C(C)CCC1
InChIInChI=1S/C8H14S/c1-3-9-8-6-4-5-7(8)2/h3-6H2,1-2H3
InChIKeyIOHFJEYWIREIHF-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-2-methylcyclopentene?
The IUPAC name of 1-ethylsulfanyl-2-methylcyclopentene (CID 123614943) is 1-ethylsulfanyl-2-methylcyclopentene.
What is the SMILES notation for 1-ethylsulfanyl-2-methylcyclopentene?
The canonical SMILES for 1-ethylsulfanyl-2-methylcyclopentene is CCSC1=C(C)CCC1.
What is the InChIKey of 1-ethylsulfanyl-2-methylcyclopentene?
The InChIKey is IOHFJEYWIREIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-3-9-8-6-4-5-7(8)2/h3-6H2,1-2H3.
What are the key properties of 1-ethylsulfanyl-2-methylcyclopentene?
1-ethylsulfanyl-2-methylcyclopentene has a molecular weight of 142.27 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-2-methylcyclopentene is sourced from PubChem (CID 123614943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).